BALL 1.5.0
|
Namespaces | |
namespace | __private |
namespace | Constants |
namespace | Exception |
namespace | GRAPH |
namespace | Maths |
namespace | MolmecSupport |
namespace | PDB |
namespace | Peptides |
namespace | QSAR |
namespace | RTTI |
namespace | SimpleDownloaderHelper |
namespace | SysInfo |
namespace | VIEW |
Functions | |
BALL_EXPORT std::ostream & | operator<< (std::ostream &os, const Exception::GeneralException &e) |
template<class T > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_sleepfor (T ms) |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_max (T a, T b) |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_max3 (T a, T b, T c) |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_min (T a, T b) |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_min3 (T a, T b, T c) |
template<class X > | |
int BALL_DEPRECATED BALL_INLINE | ball_macro_abs (X x) |
template<class X > | |
int BALL_DEPRECATED BALL_INLINE | ball_macro_sgn (X x) |
template<class X > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_odd (X x) |
template<class X > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_int_odd (X x) |
template<class X > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_int_even (X x) |
template<class X > | |
X BALL_DEPRECATED BALL_INLINE | ball_macro_real_round (X x) |
template<class X , class Y , class E > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_real_equal (X x, Y y, E e) |
template<class X , class Y , class E > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_real_not_equal (X x, Y y, E e) |
template<class X , class Y , class E > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_real_less (X x, Y y, E e) |
template<class X , class Y , class E > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_real_less_or_equal (X x, Y y, E e) |
template<class X , class Y , class E > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_real_greater (X x, Y y, E e) |
template<class X , class Y , class E > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_real_greater_or_equal (X x, Y y, E e) |
template<class X > | |
X BALL_DEPRECATED BALL_INLINE | ball_macro_real_abs (X x) |
template<class X > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_real_odd (X x) |
template<class X > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_real_even (X x) |
template<class X > | |
long BALL_DEPRECATED BALL_INLINE | ball_macro_real_floor (X x) |
template<class X > | |
long BALL_DEPRECATED BALL_INLINE | ball_macro_real_ceiling (X x) |
template<class X > | |
int BALL_DEPRECATED BALL_INLINE | ball_macro_real_round_int (X x) |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_char_bits () |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_char_mask () |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_char_shift () |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_all_bits_set () |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_all_bits_cleared () |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_number_of_bytes (T x) |
template<class T , std::size_t N> | |
std::size_t BALL_DEPRECATED BALL_INLINE | ball_macro_sizeof_array (T(&)[N]) |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_bitarray_size (T x) |
template<class BitArray , class X > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bitarray_clear_bit (BitArray *a, X x) |
template<class BitArray , class X > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bitarray_set_bit (BitArray *a, X x) |
template<class BitArray , class X > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bitarray_toggle_bit (BitArray *a, X x) |
template<class BitArray , class X > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_bitarray_is_bit_set (BitArray *a, X x) |
template<class Bit > | |
unsigned BALL_DEPRECATED BALL_INLINE | ball_macro_bit (Bit bit) |
template<class Bitset , class Bit > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bit_set (Bitset &bitset, Bit bit) |
template<class Bitset > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bit_set_all (Bitset &bitset) |
template<class Bitset , class Bit > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bit_set_all_to (Bitset &bitset, Bit bit) |
template<class Bitset , class Bit > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bit_set_all_from (Bitset &bitset, Bit bit) |
template<class Bitset , class Bit > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bit_clear (Bitset &bitset, Bit bit) |
template<class Bitset > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bit_clear_all (Bitset &bitset) |
template<class Bitset , class Bit > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bit_clear_all_to (Bitset &bitset, Bit bit) |
template<class Bitset , class Bit > | |
void BALL_DEPRECATED BALL_INLINE | ball_macro_bit_clear_all_from (Bitset &bitset, Bit bit) |
template<class Bitset , class Bit > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_bit_is_set (Bitset &bitset, Bit bit) |
template<class Bitset , class Bit > | |
bool BALL_DEPRECATED BALL_INLINE | ball_macro_bit_is_cleared (Bitset &bitset, Bit bit) |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_angle_radians_to_degree (T rad_angle) |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_angle_degree_to_radian (T deg_angle) |
template<class T > | |
T BALL_DEPRECATED BALL_INLINE | ball_macro_generic_echo (T value) |
BALL_EXPORT string | streamClassName (const std::type_info &t) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &os, const PreciseTime &time) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &os, const TimeStamp &stamp) |
template<> | |
BALL_EXPORT HashIndex | Hash (const std::pair< Position, Position > &p) |
BALL_EXPORT const FacetArray & | getContourSurfaceFacetData (double threshold) |
BALL_EXPORT bool | operator== (const String &s1, const String &s2) |
BALL_EXPORT bool | operator!= (const String &s1, const String &s2) |
BALL_EXPORT bool | operator< (const String &s1, const String &s2) |
BALL_EXPORT bool | operator<= (const String &s1, const String &s2) |
BALL_EXPORT bool | operator> (const String &s1, const String &s2) |
BALL_EXPORT bool | operator>= (const String &s1, const String &s2) |
BALL_EXPORT String | operator+ (const String &s1, const string &s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (const string &s1, const String &s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (const String &s1, const String &s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (const String &s1, const char *char_ptr) |
Concatenates a string and a C type string. | |
BALL_EXPORT String | operator+ (const char *char_ptr, const String &s) |
Concatenates a C type string and a string. | |
BALL_EXPORT String | operator+ (const String &s, char c) |
Concatenates a string and a character. | |
BALL_EXPORT String | operator+ (char c, const String &s) |
Concatenates a character and a string. | |
BALL_EXPORT String | operator+ (String &&s1, const string &s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (String &&s1, const String &s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (String &&s1, String &&s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (const String &s1, string &&s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (string &&s1, const String &s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (const string &s1, String &&s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (const String &s1, String &&s2) |
Concatenates two strings. | |
BALL_EXPORT String | operator+ (String &&s1, const char *char_ptr) |
Concatenates a string and a C type string. | |
BALL_EXPORT String | operator+ (const char *char_ptr, String &&s) |
Concatenates a C type string and a string. | |
BALL_EXPORT String | operator+ (String &&s, char c) |
Concatenates a string and a character. | |
BALL_EXPORT String | operator+ (char c, String &&s) |
Concatenates a character and a string. | |
std::ostream & | operator<< (std::ostream &out, const DockResult &dock_res) throw () |
std::istream & | operator>> (std::istream &in, DockResult &dock_res) throw () |
BALL_EXPORT double | calculateACE (const AtomContainer &atom_container, const string &type_filename="energy/ACE_types.dat", const string ¶meter_filename="energy/ACE_parameters.dat") |
BALL_EXPORT double | calculateCoulomb (const AtomContainer &atoms) |
BALL_EXPORT double | calculateDistanceCoulomb (const AtomContainer &fragment) |
BALL_EXPORT HashIndex | Hash (const PDBFile::ResidueQuadruple &quadruple) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const Quadruple< String, PDB::Character, PDB::Integer, PDB::AChar > &) |
BALL_EXPORT AtomList | atoms (const AtomContainer &fragment, const String &expression=String()) |
BALL_EXPORT AtomList | atoms (const AtomList &atoms, const String &expression) |
BALL_EXPORT PDBAtomList | PDBAtoms (const AtomContainer &fragment, const String &expression=String()) |
BALL_EXPORT BondList | bonds (const AtomContainer &fragment, bool selected_only=false) |
BALL_EXPORT BondList | bonds (const Atom &atom) |
BALL_EXPORT AtomContainerList | atomContainers (const AtomContainer &fragment, bool selected_only=false) |
BALL_EXPORT ResidueList | residues (const AtomContainer &fragment, bool selected_only=false) |
BALL_EXPORT FragmentList | fragments (const AtomContainer &fragment, bool selected_only=false) |
BALL_EXPORT MoleculeList | molecules (const AtomContainer &fragment, bool selected_only=false) |
BALL_EXPORT ProteinList | proteins (const AtomContainer &fragment, bool selected_only=false) |
BALL_EXPORT SecondaryStructureList | secondaryStructures (const AtomContainer &fragment, bool selected_only=false) |
BALL_EXPORT ChainList | chains (const AtomContainer &fragment, bool selected_only=false) |
BALL_EXPORT NucleicAcidList | nucleicAcids (const AtomContainer &fragment, bool selected_only=false) |
BALL_EXPORT NucleotideList | nucleotides (const AtomContainer &fragment, bool selected_only=false) |
template<class AtomContainerType > | |
void | cloneBonds (const AtomContainerType &atom_container, AtomContainerType &cloned) |
template<class NucleotideContainerType > | |
const Nucleotide * | get5Prime (const NucleotideContainerType &nucleotide_container) |
template<class NucleotideContainerType > | |
const Nucleotide * | get3Prime (const NucleotideContainerType &nucleotide_container) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const Element &element) |
template<class ResidueContainerType > | |
const Residue * | getNTerminal (const ResidueContainerType &residue_container) |
template<class ResidueContainerType > | |
const Residue * | getCTerminal (const ResidueContainerType &residue_container) |
template<typename T > | |
BALL_INLINE T | getDeterminant_ (const T *m, Size dim) |
template<typename T > | |
T | getDeterminant (const T *m, Size dim) |
template<typename T > | |
BALL_INLINE T | getDeterminant2 (const T *m) |
template<typename T > | |
BALL_INLINE T | getDeterminant2 (const T &m00, const T &m01, const T &m10, const T &m11) |
template<typename T > | |
BALL_INLINE T | getDeterminant3 (const T *m) |
template<typename T > | |
BALL_INLINE T | getDeterminant3 (const T &m00, const T &m01, const T &m02, const T &m10, const T &m11, const T &m12, const T &m20, const T &m21, const T &m22) |
template<typename T > | |
bool | SolveSystem (const T *m, T *x, const Size dim) |
template<typename T > | |
BALL_INLINE bool | SolveSystem2 (const T &a1, const T &b1, const T &c1, const T &a2, const T &b2, const T &c2, T &x1, T &x2) |
template<typename T > | |
short | SolveQuadraticEquation (const T &a, const T &b, const T &c, T &x1, T &x2) |
template<typename T > | |
BALL_INLINE TVector3< T > | GetPartition (const TVector3< T > &a, const TVector3< T > &b) |
template<typename T > | |
BALL_INLINE TVector3< T > | GetPartition (const TVector3< T > &a, const TVector3< T > &b, const T &r, const T &s) |
template<typename T > | |
BALL_INLINE T | GetDistance (const TVector3< T > &a, const TVector3< T > &b) |
template<typename T > | |
BALL_INLINE T | GetDistance (const TLine3< T > &line, const TVector3< T > &point) |
template<typename T > | |
BALL_INLINE T | GetDistance (const TVector3< T > &point, const TLine3< T > &line) |
template<typename T > | |
T | GetDistance (const TLine3< T > &a, const TLine3< T > &b) |
template<typename T > | |
BALL_INLINE T | GetDistance (const TVector3< T > &point, const TPlane3< T > &plane) |
template<typename T > | |
BALL_INLINE T | GetDistance (const TPlane3< T > &plane, const TVector3< T > &point) |
template<typename T > | |
BALL_INLINE T | GetDistance (const TLine3< T > &line, const TPlane3< T > &plane) |
template<typename T > | |
BALL_INLINE T | GetDistance (const TPlane3< T > &plane, const TLine3< T > &line) |
template<typename T > | |
BALL_INLINE T | GetDistance (const TPlane3< T > &a, const TPlane3< T > &b) |
template<typename T > | |
BALL_INLINE bool | GetAngle (const TVector3< T > &a, const TVector3< T > &b, TAngle< T > &intersection_angle) |
template<typename T > | |
BALL_INLINE bool | GetAngle (const TLine3< T > &a, const TLine3< T > &b, TAngle< T > &intersection_angle) |
template<typename T > | |
BALL_INLINE bool | GetAngle (const TPlane3< T > &plane, const TVector3< T > &vector, TAngle< T > &intersection_angle) |
template<typename T > | |
BALL_INLINE bool | GetAngle (const TVector3< T > &vector, const TPlane3< T > &plane, TAngle< T > &intersection_angle) |
template<typename T > | |
BALL_INLINE bool | GetAngle (const TPlane3< T > &plane, const TLine3< T > &line, TAngle< T > &intersection_angle) |
template<typename T > | |
BALL_INLINE bool | GetAngle (const TLine3< T > &line, const TPlane3< T > &plane, TAngle< T > &intersection_angle) |
template<typename T > | |
BALL_INLINE bool | GetAngle (const TPlane3< T > &a, const TPlane3< T > &b, TAngle< T > &intersection_angle) |
template<typename T > | |
bool | GetIntersection (const TLine3< T > &a, const TLine3< T > &b, TVector3< T > &point) |
template<typename T > | |
BALL_INLINE bool | GetIntersection (const TPlane3< T > &plane, const TLine3< T > &line, TVector3< T > &intersection_point) |
template<typename T > | |
BALL_INLINE bool | GetIntersection (const TLine3< T > &line, const TPlane3< T > &plane, TVector3< T > &intersection_point) |
template<typename T > | |
bool | GetIntersection (const TPlane3< T > &plane1, const TPlane3< T > &plane2, TLine3< T > &line) |
template<typename T > | |
bool | GetIntersection (const TSphere3< T > &sphere, const TLine3< T > &line, TVector3< T > &intersection_point1, TVector3< T > &intersection_point2) |
template<typename T > | |
BALL_INLINE bool | GetIntersection (const TLine3< T > &line, const TSphere3< T > &sphere, TVector3< T > &intersection_point1, TVector3< T > &intersection_point2) |
template<typename T > | |
bool | GetIntersection (const TSphere3< T > &sphere, const TPlane3< T > &plane, TCircle3< T > &intersection_circle) |
template<typename T > | |
BALL_INLINE bool | GetIntersection (const TPlane3< T > &plane, const TSphere3< T > &sphere, TCircle3< T > &intersection_circle) |
template<typename T > | |
bool | GetIntersection (const TSphere3< T > &a, const TSphere3< T > &b, TCircle3< T > &intersection_circle) |
template<class T > | |
bool | GetIntersection (const TSphere3< T > &s1, const TSphere3< T > &s2, const TSphere3< T > &s3, TVector3< T > &p1, TVector3< T > &p2, bool test=true) |
template<typename T > | |
BALL_INLINE bool | isCollinear (const TVector3< T > &a, const TVector3< T > &b) |
template<typename T > | |
BALL_INLINE bool | isComplanar (const TVector3< T > &a, const TVector3< T > &b, const TVector3< T > &c) |
template<typename T > | |
BALL_INLINE bool | isComplanar (const TVector3< T > &a, const TVector3< T > &b, const TVector3< T > &c, const TVector3< T > &d) |
template<typename T > | |
BALL_INLINE bool | isOrthogonal (const TVector3< T > &a, const TVector3< T > &b) |
template<typename T > | |
BALL_INLINE bool | isOrthogonal (const TVector3< T > &vector, const TLine3< T > &line) |
template<typename T > | |
BALL_INLINE bool | isOrthogonal (const TLine3< T > &line, const TVector3< T > &vector) |
template<typename T > | |
BALL_INLINE bool | isOrthogonal (const TLine3< T > &a, const TLine3< T > &b) |
template<typename T > | |
BALL_INLINE bool | isOrthogonal (const TVector3< T > &vector, const TPlane3< T > &plane) |
template<typename T > | |
BALL_INLINE bool | isOrthogonal (const TPlane3< T > &plane, const TVector3< T > &vector) |
template<typename T > | |
BALL_INLINE bool | isOrthogonal (const TPlane3< T > &a, const TPlane3< T > &b) |
template<typename T > | |
BALL_INLINE bool | isIntersecting (const TVector3< T > &point, const TLine3< T > &line) |
template<typename T > | |
BALL_INLINE bool | isIntersecting (const TLine3< T > &line, const TVector3< T > &point) |
template<typename T > | |
BALL_INLINE bool | isIntersecting (const TLine3< T > &a, const TLine3< T > &b) |
template<typename T > | |
BALL_INLINE bool | isIntersecting (const TVector3< T > &point, const TPlane3< T > &plane) |
template<typename T > | |
BALL_INLINE bool | isIntersecting (const TPlane3< T > &plane, const TVector3< T > &point) |
template<typename T > | |
BALL_INLINE bool | isIntersecting (const TLine3< T > &line, const TPlane3< T > &plane) |
template<typename T > | |
BALL_INLINE bool | isIntersecting (const TPlane3< T > &plane, const TLine3< T > &line) |
template<typename T > | |
BALL_INLINE bool | isIntersecting (const TPlane3< T > &a, const TPlane3< T > &b) |
template<typename T > | |
BALL_INLINE bool | isParallel (const TLine3< T > &line, const TPlane3< T > &plane) |
template<typename T > | |
BALL_INLINE bool | isParallel (const TPlane3< T > &plane, const TLine3< T > &line) |
template<typename T > | |
BALL_INLINE bool | isParallel (const TPlane3< T > &a, const TPlane3< T > &b) |
template<typename T > | |
TAngle< T > | getOrientedAngle (const T &ax, const T &ay, const T &az, const T &bx, const T &by, const T &bz, const T &nx, const T &ny, const T &nz) |
template<typename T > | |
BALL_INLINE TAngle< T > | getOrientedAngle (const TVector3< T > &a, const TVector3< T > &b, const TVector3< T > &normal) |
template<typename T > | |
TAngle< T > | getTorsionAngle (const T &ax, const T &ay, const T &az, const T &bx, const T &by, const T &bz, const T &cx, const T &cy, const T &cz, const T &dx, const T &dy, const T &dz) |
template<typename T > | |
BALL_INLINE TAngle< T > | operator* (const T &val, const TAngle< T > &angle) |
template<typename T > | |
BALL_INLINE TAngle< T > | operator+ (const T &val, const TAngle< T > &angle) |
template<typename T > | |
BALL_INLINE TAngle< T > | operator- (const T &val, const TAngle< T > &angle) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TAngle< T > &angle) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TAngle< T > &angle) |
template<typename ComplexTraits > | |
const RegularData1D & | operator<< (RegularData1D &to, const TFFT1D< ComplexTraits > &from) |
template<typename ComplexTraits > | |
const TRegularData2D< typename TFFT2D< ComplexTraits >::Complex > & | operator<< (TRegularData2D< typename TFFT2D< ComplexTraits >::Complex > &to, const TFFT2D< ComplexTraits > &from) |
template<typename ComplexTraits > | |
const RegularData2D & | operator<< (RegularData2D &to, const TFFT2D< ComplexTraits > &from) |
template<typename ComplexTraits > | |
const TRegularData3D< typename TFFT3D< ComplexTraits >::Complex > & | operator<< (TRegularData3D< typename TFFT3D< ComplexTraits >::Complex > &to, const TFFT3D< ComplexTraits > &from) |
template<typename ComplexTraits > | |
const RegularData3D & | operator<< (RegularData3D &to, const TFFT3D< ComplexTraits > &from) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TQuaternion< T > &q) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TQuaternion< T > &q) |
::std::ostream & | operator<< (::std::ostream &os, const SnapShot &ss) |
Output stream operator for SnapShots. | |
::std::istream & | operator>> (::std::istream &is, SnapShot &ss) |
Input stream operator for SnapShots. | |
Position | getMMFF94Index (Position atom_type1, Position atom_type2) |
BALL_EXPORT const RegularData1D & | operator<< (RegularData1D &data, const PeakList1D &peak_list) |
template<typename PositionType > | |
std::ostream & | operator<< (std::ostream &os, const Peak< PositionType > &peak) |
std::ostream & | operator<< (std::ostream &os, const BALL::ShiftModel2D &shiftmodel) |
template<typename DataT , typename PeakT , typename PositionT > | |
double | operator- (const Spectrum< DataT, PeakT, PositionT > &s1, const Spectrum< DataT, PeakT, PositionT > &s2) |
template<typename DataT , typename PeakT , typename PositionT > | |
std::ostream & | operator<< (std::ostream &os, const Spectrum< DataT, PeakT, PositionT > &spectrum) |
template<typename DataT , typename PeakT , typename PositionT > | |
std::istream & | operator>> (std::istream &is, Spectrum< DataT, PeakT, PositionT > &spectrum) |
PyObject * | pyMapBALLObjectToSip (Composite &object) |
BALL_EXPORT void | calculateResidueChiAngles (const Protein &protein, HashMap< const Residue *, float > &residue_angles) |
BALL_EXPORT void | calculateResidueChiAngles (const Chain &fragment, HashMap< const Residue *, float > &residue_angles) |
BALL_EXPORT float | calculateResidueChiAngles (const Residue &residue) |
BALL_EXPORT void | calculateResidueChi2Angles (const Protein &protein, HashMap< const Residue *, float > &residue_angles) |
BALL_EXPORT void | calculateResidueChi2Angles (const Chain &fragment, HashMap< const Residue *, float > &residue_angles) |
BALL_EXPORT float | calculateResidueChi2Angles (const Residue &residue) |
BALL_EXPORT TRegularData3D< char > * | calculateSESGrid (const Vector3 &lower, const Vector3 &upper, float spacing, const System &system, float probe_radius) |
BALL_EXPORT TRegularData3D< char > * | calculateSASGrid (const Vector3 &lower, const Vector3 &upper, float spacing, const System &system, float probe_radius) |
BALL_EXPORT double | calculateOoiEnergy (AtomContainer &atoms) |
BALL_EXPORT float | calculateSESAtomAreas (const AtomContainer &fragment, HashMap< const Atom *, float > &atom_areas, float probe_radius=1.5) |
BALL_EXPORT float | calculateSESArea (const AtomContainer &fragment, float probe_radius=1.5) |
BALL_EXPORT float | calculateSESVolume (const AtomContainer &fragment, float probe_radius=1.5) |
template<typename Node , typename Edge > | |
std::ostream & | operator<< (std::ostream &os, const TSimpleMolecularGraph< Node, Edge > &G) |
template<typename T > | |
void | swapBytes (T &t) |
template<> | |
BALL_EXPORT void | swapBytes (unsigned short &) |
template<> | |
BALL_EXPORT void | swapBytes (short &) |
template<> | |
BALL_EXPORT void | swapBytes (unsigned int &) |
template<> | |
BALL_EXPORT void | swapBytes (int &) |
template<> | |
BALL_EXPORT void | swapBytes (unsigned long &) |
template<> | |
BALL_EXPORT void | swapBytes (long &) |
template<> | |
BALL_EXPORT void | swapBytes (float &) |
template<> | |
BALL_EXPORT void | swapBytes (double &) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &os, const BinaryFileAdaptor< T > &data) |
Output stream for BinaryFileAdaptors. | |
template<typename T > | |
std::istream & | operator>> (std::istream &is, BinaryFileAdaptor< T > &data) |
Input stream for BinaryFileAdaptors. | |
Specialized Hash Functions. | |
BALL_EXPORT HashIndex | hashPointer (void *const ptr) |
BALL_EXPORT HashIndex | hashString (const char *str) |
BALL_EXPORT HashIndex | hashPJWString (const char *str) |
BALL_EXPORT HashIndex | hashElfString (const char *str) |
template<typename T > | |
HashIndex | Hash (const T &key) |
BALL_EXPORT HashIndex | Hash (const string &s) |
BALL_EXPORT HashIndex | Hash (const String &s) |
BALL_EXPORT HashIndex | Hash (void *const &ptr) |
BALL_EXPORT HashIndex | getNextPrime (HashIndex l) |
Generic Constant Random Access Iterator | |
template<typename Container , typename DataType , typename Position , typename Traits > | |
ConstRandomAccessIterator< Container, DataType, Position, Traits > | operator+ (Distance distance, const ConstRandomAccessIterator< Container, DataType, Position, Traits > &iterator) |
Stream I/O | |
template<typename ValueType > | |
std::ostream & | operator<< (std::ostream &os, const TRegularData1D< ValueType > &data) |
Output operator. | |
template<typename ValueType > | |
std::istream & | operator>> (std::istream &is, TRegularData1D< ValueType > &grid) |
Input operator. | |
template<typename ValueType > | |
std::ostream & | operator<< (std::ostream &os, const TRegularData2D< ValueType > &data) |
Output operator. | |
template<typename ValueType > | |
std::istream & | operator>> (std::istream &is, TRegularData2D< ValueType > &grid) |
Input operator. | |
template<typename ValueType > | |
std::ostream & | operator<< (std::ostream &os, const TRegularData3D< ValueType > &grid) |
Output operator. | |
template<typename ValueType > | |
std::istream & | operator>> (std::istream &is, TRegularData3D< ValueType > &grid) |
Input operator. | |
Angle Calculation | |
BALL_EXPORT Angle | calculateTorsionAngle (const Atom &a1, const Atom &a2, const Atom &a3, const Atom &a4) |
BALL_EXPORT bool | setTorsionAngle (const Atom &a1, const Atom &a2, Atom &a3, const Atom &a4, Angle angle) |
BALL_EXPORT Angle | calculateBondAngle (const Atom &a1, const Atom &a2, const Atom &a3) |
Variables | |
bool | clone_bonds |
BALL_EXPORT PTE_ | PTE |
StringHashMap< double * > * | ParsedFunctionConstants |
StringHashMap< double(*)(double)> * | ParsedFunctionFunctions |
Size | MMFF94_number_atom_types |
hold the maximum number of MMFF94 atom types + 1 (wildcard) | |
BALL_EXPORT const char | CCONN__INSIDE |
BALL_EXPORT const char | CCONN__OUTSIDE |
BALL_EXPORT const char | CCONN__INSIDE_PROBE |
Log streams | |
Logging, filtering, and storing messages. Many programs emit warning messages, error messages, or simply informations and remarks to their users. The LogStream class provides a convenient and straight-forward interface to classify these messages according to their importance (via the loglevel), filter and store them in files or write them to streams.
| |
BALL_EXPORT LogStream | Log |
Type aliases defined by BALL. | |
These predefined types are used in BALL for portability and comprehensibility. | |
enum | ASCII { ASCII__BACKSPACE = '\b' , ASCII__BELL = '\a' , ASCII__CARRIAGE_RETURN = '\r' , ASCII__HORIZONTAL_TAB = '\t' , ASCII__NEWLINE = '\n' , ASCII__RETURN = ASCII__NEWLINE , ASCII__SPACE = ' ' , ASCII__TAB = ASCII__HORIZONTAL_TAB , ASCII__VERTICAL_TAB = '\v' , ASCII__COLON = ':' , ASCII__COMMA = ',' , ASCII__EXCLAMATION_MARK = '!' , ASCII__POINT = '.' , ASCII__QUESTION_MARK = '?' , ASCII__SEMICOLON = ';' } |
typedef BALL_INDEX_TYPE | Distance |
typedef BALL_SIZE_TYPE | Handle |
typedef BALL_INDEX_TYPE | Index |
typedef BALL_SIZE_TYPE | Size |
typedef time_t | Time |
typedef BALL_SIZE_TYPE | HashIndex |
typedef BALL_SIZE_TYPE | Position |
typedef float | Real |
typedef double | DoubleReal |
typedef BALL_SIZE_TYPE | Property |
typedef BALL_INDEX_TYPE | ErrorCode |
typedef unsigned char | Byte |
typedef BALL_ULONG64_TYPE | LongSize |
typedef BALL_LONG64_TYPE | LongIndex |
typedef BALL_POINTERSIZEUINT_TYPE | PointerSizeUInt |
static const Distance | INVALID_Distance = std::numeric_limits<Distance>::max() |
static const Distance | Distance_MIN = (std::numeric_limits<Distance>::min() + 1) |
static const Distance | Distance_MAX = std::numeric_limits<Distance>::max() |
static const Handle | INVALID_Handle = std::numeric_limits<Handle>::max() |
static const Handle | Handle_MIN = 0 |
static const Handle | Handle_MAX = std::numeric_limits<Handle>::max() - 1 |
static const Index | INVALID_Index = -1 |
static const Index | Index_MIN = 0 |
static const Index | Index_MAX = std::numeric_limits<Index>::max() |
static const Position | INVALID_Position = std::numeric_limits<Position>::max() |
static const Position | Position_MIN = 0 |
static const Position | Position_MAX = std::numeric_limits<Position>::max() - 1 |
static const Size | INVALID_Size = std::numeric_limits<Size>::max() |
static const Size | Size_MIN = 0 |
static const Size | Size_MAX = std::numeric_limits<Size>::max() - 1 |
Storers | |
typedef TBox3< float > | Box3 |
typedef TCircle3< float > | Circle3 |
typedef TLine3< float > | Line3 |
typedef TMatrix4x4< float > | Matrix4x4 |
typedef TPlane3< float > | Plane3 |
typedef TSimpleBox3< float > | SimpleBox3 |
typedef TSphere3< float > | Sphere3 |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TBox3< T > &box) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TBox3< T > &box) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TCircle3< T > &circle) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TCircle3< T > &circle) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TLine3< T > &line) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TLine3< T > &line) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TMatrix4x4< T > &m) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TMatrix4x4< T > &m) |
template<typename T > | |
TMatrix4x4< T > | operator* (const T &scalar, const TMatrix4x4< T > &m) |
template<typename T > | |
TVector3< T > | operator* (const TMatrix4x4< T > &matrix, const TVector3< T > &vector) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TPlane3< T > &plane) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TPlane3< T > &plane) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TSimpleBox3< T > &box) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TSimpleBox3< T > &box) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TSphere3< T > &sphere) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TSphere3< T > &sphere) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const ReducedSurface &rs) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const RSEdge &rsedge) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const RSFace &rsface) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const RSVertex &rsvertex) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const SASEdge &sasedge) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const SASFace &sasface) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const SASVertex &sasvertex) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const SESEdge &sesedge) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const SESFace &sesface) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const SESVertex &sesvertex) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const SolventAccessibleSurface &sas) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const SolventExcludedSurface &ses) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const Triangle &triangle) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const TriangleEdge &edge) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const TrianglePoint &point) |
BALL_EXPORT std::ostream & | operator<< (std::ostream &s, const TriangulatedSurface &surface) |
Global binary operator functions for two dimensional vectors. | |
typedef TVector2< float > | Vector2 |
template<typename T > | |
BALL_INLINE TVector2< T > | operator* (const T &scalar, const TVector2< T > &vector) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TVector2< T > &vector) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TVector2< T > &vector) |
Global binary operators for three-dimensional vectors. | |
typedef TVector3< float > | Vector3 |
typedef TVector4< float > | Vector4 |
template class BALL_EXPORT | TVector3< float > |
template<typename T > | |
BALL_INLINE TVector3< T > | operator* (const T &a, const TVector3< T > &b) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TVector3< T > &vector) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TVector3< T > &vector) |
template<typename T > | |
BALL_INLINE TVector4< T > | operator+ (const TVector4< T > &a, const TVector4< T > &b) |
template<typename T > | |
BALL_INLINE TVector4< T > | operator- (const TVector4< T > &a, const TVector4< T > &b) |
template<typename T > | |
std::istream & | operator>> (std::istream &s, TVector4< T > &vector) |
template<typename T > | |
std::ostream & | operator<< (std::ostream &s, const TVector4< T > &vector) |
template<typename T > | |
BALL_INLINE TVector4< T > | operator* (const T &scalar, const TVector4< T > &v) |
template<typename T > | |
BALL_INLINE TVector4< T > | operator* (const TVector4< T > &v, const T &scalar) |
typedef TAngle<float> BALL::Angle |
The Default Angle Type. If double precision is not needed, TAngle<float>
should be used. It is predefined as Angle
for convenience.
A constant iterator for atom bonds.
Definition at line 27 of file bondIterator.h.
A constant reverse iterator for atom bonds.
Definition at line 35 of file bondIterator.h.
A mutable iterator for atom bonds.
Definition at line 23 of file bondIterator.h.
A mutable reverse iterator for atom bonds.
Definition at line 31 of file bondIterator.h.
typedef ConstBidirectionalIterator<Composite, Atom, Composite::CompositeIterator, AtomIteratorTraits> BALL::AtomConstIterator |
A constant bidirectional iterator for the Atom class.
Definition at line 90 of file atomIterator.h.
typedef std::reverse_iterator<AtomConstIterator> BALL::AtomConstReverseIterator |
A constant reverse bidirectional iterator for the Atom class.
Definition at line 96 of file atomIterator.h.
typedef ConstBidirectionalIterator<Composite, AtomContainer, Composite::CompositeIterator, AtomContainerIteratorTraits> BALL::AtomContainerConstIterator |
A constant bidirectional iterator for the AtomContainer class.
Definition at line 94 of file atomContainerIterator.h.
typedef std::reverse_iterator<AtomContainerConstIterator> BALL::AtomContainerConstReverseIterator |
A constant reverse bidirectional iterator for the AtomContainer class.
Definition at line 100 of file atomContainerIterator.h.
typedef BidirectionalIterator<Composite, AtomContainer, Composite::CompositeIterator, AtomContainerIteratorTraits> BALL::AtomContainerIterator |
A mutable bidirectional iterator for the AtomContainer class.
Definition at line 88 of file atomContainerIterator.h.
typedef std::list<AtomContainer*> BALL::AtomContainerList |
Definition at line 55 of file extractors.h.
Definition at line 8 of file pyUnaryProcessors.h.
typedef std::reverse_iterator<AtomContainerIterator> BALL::AtomContainerReverseIterator |
A mutable reverse bidirectional iterator for the AtomContainer class.
Definition at line 97 of file atomContainerIterator.h.
typedef BidirectionalIterator<Composite, Atom, Composite::CompositeIterator, AtomIteratorTraits> BALL::AtomIterator |
A mutable bidirectional iterator for the Atom class.
Definition at line 84 of file atomIterator.h.
typedef std::list<std::pair<Atom*, Atom*> > BALL::AtomPairList |
Definition at line 23 of file scoringFunction.h.
typedef std::vector<std::pair<Atom*, Atom*> > BALL::AtomPairVector |
Definition at line 24 of file scoringFunction.h.
using BALL::AtomProcessor = UnaryProcessor<Atom> |
Definition at line 9 of file pyUnaryProcessors.h.
typedef std::reverse_iterator<AtomIterator> BALL::AtomReverseIterator |
A mutable reverse bidirectional iterator for the Atom class.
Definition at line 93 of file atomIterator.h.
typedef std::list<Bond*> BALL::BondList |
Definition at line 53 of file extractors.h.
using BALL::BondProcessor = UnaryProcessor<Bond> |
Definition at line 10 of file pyUnaryProcessors.h.
typedef unsigned char BALL::Byte |
Byte type. Use this type to represent byte data (8 bit length). A Byte is always unsigned.
Definition at line 183 of file COMMON/global.h.
typedef ConstBidirectionalIterator<Composite, Chain, Composite::CompositeIterator, ChainIteratorTraits> BALL::ChainConstIterator |
A constant bidirectional iterator for the Chain class.
Definition at line 89 of file chainIterator.h.
typedef std::reverse_iterator<ChainConstIterator> BALL::ChainConstReverseIterator |
A constant reverse bidirectional iterator for the Chain class.
Definition at line 95 of file chainIterator.h.
typedef BidirectionalIterator<Composite, Chain, Composite::CompositeIterator, ChainIteratorTraits> BALL::ChainIterator |
A mutable bidirectional iterator for the Chain class.
Definition at line 85 of file chainIterator.h.
typedef std::list<Chain*> BALL::ChainList |
Definition at line 69 of file extractors.h.
using BALL::ChainProcessor = UnaryProcessor<Chain> |
Definition at line 11 of file pyUnaryProcessors.h.
typedef std::reverse_iterator<ChainIterator> BALL::ChainReverseIterator |
A mutable reverse bidirectional iterator for the Chain class.
Definition at line 92 of file chainIterator.h.
typedef int(* BALL::ComparatorType) (const void *, const void *) |
Definition at line 70 of file COMMON/global.h.
typedef std::complex<BALL_COMPLEX_PRECISION> BALL::Complex |
Definition at line 12 of file pyUnaryProcessors.h.
Definition at line 16 of file pyUnaryProcessors.h.
Definition at line 17 of file pyUnaryProcessors.h.
typedef TContourLine<float> BALL::ContourLine |
Default type
Definition at line 153 of file contourLine.h.
typedef TContourSurface<float> BALL::ContourSurface |
Default type.
Definition at line 250 of file contourSurface.h.
typedef BALL_INDEX_TYPE BALL::Distance |
Distance type. Use this type to represent distances in indices. Signed.
Definition at line 86 of file COMMON/global.h.
typedef double BALL::DoubleReal |
Double-precision real type. Use this type to represent double precision floating point numbers.
Definition at line 156 of file COMMON/global.h.
Definition at line 78 of file molecularGraph.h.
typedef BALL_INDEX_TYPE BALL::ErrorCode |
Error code property type. Use this type to represent (signed) error codes.
Definition at line 173 of file COMMON/global.h.
typedef Experiment<PeakList1D> BALL::Experiment1D |
1D NMR experiment
Definition at line 136 of file experiment.h.
typedef Experiment<PeakList3D> BALL::Experiment3D |
2D NMR experiment 3D NMR experiment
Definition at line 145 of file experiment.h.
typedef Index BALL::FacetArray[256][12] |
Definition at line 32 of file contourSurface.h.
typedef TFFT1D<BALL_FFTW_DEFAULT_TRAITS> BALL::FFT1D |
typedef TFFT2D<BALL_FFTW_DEFAULT_TRAITS> BALL::FFT2D |
typedef TFFT3D<BALL_FFTW_DEFAULT_TRAITS> BALL::FFT3D |
typedef ConstBidirectionalIterator<Composite, Fragment, Composite::CompositeIterator, FragmentIteratorTraits> BALL::FragmentConstIterator |
Definition at line 81 of file fragmentIterator.h.
typedef std::reverse_iterator<FragmentConstIterator> BALL::FragmentConstReverseIterator |
Definition at line 87 of file fragmentIterator.h.
typedef BidirectionalIterator<Composite, Fragment, Composite::CompositeIterator, FragmentIteratorTraits> BALL::FragmentIterator |
Definition at line 76 of file fragmentIterator.h.
typedef std::list<Fragment*> BALL::FragmentList |
Definition at line 61 of file extractors.h.
Definition at line 13 of file pyUnaryProcessors.h.
typedef std::reverse_iterator<FragmentIterator> BALL::FragmentReverseIterator |
Definition at line 84 of file fragmentIterator.h.
typedef BALL_SIZE_TYPE BALL::Handle |
Handle type. Use this type to represent handles. Handles are used for the non-ambiguous identification of objects (e.g. object derived from Object ). Handles are unsigned.
Definition at line 96 of file COMMON/global.h.
typedef BALL_SIZE_TYPE BALL::HashIndex |
HashIndex type. Use this type to access the result of a hash functions. HashIndex is unsigned.
Definition at line 131 of file COMMON/global.h.
typedef BALL_INDEX_TYPE BALL::Index |
Index type. Use this type to represent indices (e.g. in strings or other sequences). Theses indices may be signed, contrary to the Size type.
Definition at line 105 of file COMMON/global.h.
typedef std::pair<double,double> BALL::Interval |
An interval is defined by its limits
Definition at line 23 of file piecewiseFunction.h.
Definition at line 59 of file KERNEL/predicate.h.
typedef FlexibleMolecule BALL::Ligand |
Definition at line 121 of file flexibleMolecule.h.
typedef BALL_LONG64_TYPE BALL::LongIndex |
Long signed int type. This type holds unsigned 64 bit numbers and is used to store pointers in a portable fashion (for both 32-bit and 64-bit systems).
Definition at line 201 of file COMMON/global.h.
typedef BALL_ULONG64_TYPE BALL::LongSize |
Long unsigned int type. This type holds unsigned 64 bit integer numbers and is used to store pointers in a portable fashion (for both 32-bit and 64-bit systems).
Definition at line 192 of file COMMON/global.h.
typedef std::vector<Eigen::MatrixXd, Eigen::aligned_allocator<Eigen::MatrixXd> > BALL::MatrixVector |
Definition at line 10 of file QSAR/common.h.
typedef boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, boost::property<boost::vertex_atom_ptr_t, const Atom*>, boost::property<boost::edge_bond_ptr_t, const Bond*> > BALL::MolecularGraphBase |
Definition at line 30 of file molecularGraph.h.
Definition at line 77 of file molecularGraph.h.
typedef ConstBidirectionalIterator<Composite, Molecule, Composite::CompositeIterator, MoleculeIteratorTraits> BALL::MoleculeConstIterator |
Definition at line 70 of file moleculeIterator.h.
typedef std::reverse_iterator<MoleculeConstIterator> BALL::MoleculeConstReverseIterator |
Definition at line 76 of file moleculeIterator.h.
typedef BidirectionalIterator<Composite, Molecule, Composite::CompositeIterator, MoleculeIteratorTraits> BALL::MoleculeIterator |
Definition at line 65 of file moleculeIterator.h.
typedef std::list<Molecule*> BALL::MoleculeList |
Definition at line 63 of file extractors.h.
typedef std::reverse_iterator<MoleculeIterator> BALL::MoleculeReverseIterator |
Definition at line 73 of file moleculeIterator.h.
typedef TMutex<BALL_DEFAULT_MUTEX_TYPE> BALL::Mutex |
typedef std::vector<NamedProperty>::iterator BALL::NamedPropertyIterator |
Definition at line 317 of file property.h.
typedef ConstBidirectionalIterator<Composite, NucleicAcid, Composite::CompositeIterator, NucleicAcidIteratorTraits> BALL::NucleicAcidConstIterator |
Definition at line 76 of file nucleicAcidIterator.h.
typedef std::reverse_iterator<NucleicAcidConstIterator> BALL::NucleicAcidConstReverseIterator |
Definition at line 80 of file nucleicAcidIterator.h.
typedef BidirectionalIterator<Composite, NucleicAcid, Composite::CompositeIterator, NucleicAcidIteratorTraits> BALL::NucleicAcidIterator |
Definition at line 72 of file nucleicAcidIterator.h.
typedef std::list<NucleicAcid*> BALL::NucleicAcidList |
Definition at line 73 of file extractors.h.
typedef std::reverse_iterator<NucleicAcidIterator> BALL::NucleicAcidReverseIterator |
Definition at line 78 of file nucleicAcidIterator.h.
typedef ConstBidirectionalIterator<Composite, Nucleotide, Composite::CompositeIterator, NucleotideIteratorTraits> BALL::NucleotideConstIterator |
Definition at line 71 of file nucleotideIterator.h.
typedef std::reverse_iterator<NucleotideConstIterator> BALL::NucleotideConstReverseIterator |
Definition at line 75 of file nucleotideIterator.h.
typedef BidirectionalIterator<Composite, Nucleotide, Composite::CompositeIterator, NucleotideIteratorTraits> BALL::NucleotideIterator |
Definition at line 67 of file nucleotideIterator.h.
typedef std::list<Nucleotide*> BALL::NucleotideList |
Definition at line 71 of file extractors.h.
typedef std::reverse_iterator<NucleotideIterator> BALL::NucleotideReverseIterator |
Definition at line 73 of file nucleotideIterator.h.
typedef ConstBidirectionalIterator<Composite, PDBAtom, Composite::CompositeIterator, PDBAtomIteratorTraits> BALL::PDBAtomConstIterator |
A constant bidirectional iterator for the PDBAtom class.
Definition at line 92 of file PDBAtomIterator.h.
typedef std::reverse_iterator<PDBAtomConstIterator> BALL::PDBAtomConstReverseIterator |
A constant reverse bidirectional iterator for the PDBAtom class.
Definition at line 98 of file PDBAtomIterator.h.
typedef BidirectionalIterator<Composite, PDBAtom, Composite::CompositeIterator, PDBAtomIteratorTraits> BALL::PDBAtomIterator |
A mutable bidirectional iterator for the PDBAtom class.
Definition at line 88 of file PDBAtomIterator.h.
typedef std::list<PDBAtom*> BALL::PDBAtomList |
Definition at line 57 of file extractors.h.
typedef std::reverse_iterator<PDBAtomIterator> BALL::PDBAtomReverseIterator |
A mutable reverse bidirectional iterator for the PDBAtom class.
Definition at line 95 of file PDBAtomIterator.h.
typedef Peak<float> BALL::Peak1D |
typedef Peak<Vector2> BALL::Peak2D |
typedef Peak<Vector3> BALL::Peak3D |
typedef PeakList<Peak<float> > BALL::PeakList1D |
1D peak list
Definition at line 125 of file peakList.h.
typedef PeakList<Peak<Vector2> > BALL::PeakList2D |
2D peak list
Definition at line 128 of file peakList.h.
typedef PeakList<Peak<Vector3> > BALL::PeakList3D |
3D peak list
Definition at line 131 of file peakList.h.
typedef BALL_POINTERSIZEUINT_TYPE BALL::PointerSizeUInt |
Unsigned int with the same size as a pointer. Used for internal conversion issues mostly. Size: 32/64 bit (platform dependent)
Definition at line 207 of file COMMON/global.h.
typedef BALL_SIZE_TYPE BALL::Position |
Position type. Use this type to represent positions (e.g. in a container) that cannot be negative (contrary to Index ).
Definition at line 140 of file COMMON/global.h.
typedef BALL_SIZE_TYPE BALL::Property |
Unnamed property type. Use this type to represent (unnamed) properties.
Definition at line 165 of file COMMON/global.h.
typedef ConstBidirectionalIterator<Composite, Protein, Composite::CompositeIterator, ProteinIteratorTraits> BALL::ProteinConstIterator |
Definition at line 71 of file proteinIterator.h.
typedef std::reverse_iterator<ProteinConstIterator> BALL::ProteinConstReverseIterator |
Definition at line 77 of file proteinIterator.h.
typedef BidirectionalIterator<Composite, Protein, Composite::CompositeIterator,ProteinIteratorTraits> BALL::ProteinIterator |
Definition at line 66 of file proteinIterator.h.
typedef std::list<Protein*> BALL::ProteinList |
Definition at line 65 of file extractors.h.
typedef std::reverse_iterator<ProteinIterator> BALL::ProteinReverseIterator |
Definition at line 74 of file proteinIterator.h.
typedef TQuaternion<float> BALL::Quaternion |
Definition at line 626 of file quaternion.h.
typedef float BALL::Real |
Real type. Use this type to represent standard floating point numbers.
Definition at line 148 of file COMMON/global.h.
typedef TRegularData1D<float> BALL::RegularData1D |
Default type
Definition at line 358 of file regularData1D.h.
typedef TRegularData2D<float> BALL::RegularData2D |
Default type
Definition at line 414 of file regularData2D.h.
typedef TRegularData3D<float> BALL::RegularData3D |
Default type
Definition at line 515 of file regularData3D.h.
typedef std::list<RegularData3D*> BALL::RegularData3DList |
Definition at line 15 of file pyListHelper.h.
typedef ConstBidirectionalIterator<Composite, Residue, Composite::CompositeIterator, ResidueIteratorTraits> BALL::ResidueConstIterator |
Definition at line 67 of file residueIterator.h.
typedef std::reverse_iterator<ResidueConstIterator> BALL::ResidueConstReverseIterator |
Definition at line 73 of file residueIterator.h.
typedef BidirectionalIterator<Composite, Residue, Composite::CompositeIterator, ResidueIteratorTraits> BALL::ResidueIterator |
Definition at line 62 of file residueIterator.h.
typedef std::list<Residue*> BALL::ResidueList |
Definition at line 59 of file extractors.h.
using BALL::ResidueProcessor = UnaryProcessor<Residue> |
Definition at line 14 of file pyUnaryProcessors.h.
typedef std::reverse_iterator<ResidueIterator> BALL::ResidueReverseIterator |
Definition at line 70 of file residueIterator.h.
typedef vector<vector<vector<double> > > BALL::ScoreGrid |
Definition at line 17 of file scoreGridSet.h.
typedef ConstBidirectionalIterator<Composite, SecondaryStructure, Composite::CompositeIterator, SecondaryStructureIteratorTraits> BALL::SecondaryStructureConstIterator |
Definition at line 75 of file secondaryStructureIterator.h.
typedef std::reverse_iterator<SecondaryStructureConstIterator> BALL::SecondaryStructureConstReverseIterator |
Definition at line 81 of file secondaryStructureIterator.h.
typedef BidirectionalIterator<Composite, SecondaryStructure, Composite::CompositeIterator, SecondaryStructureIteratorTraits> BALL::SecondaryStructureIterator |
Definition at line 70 of file secondaryStructureIterator.h.
typedef std::list<SecondaryStructure*> BALL::SecondaryStructureList |
Definition at line 67 of file extractors.h.
typedef std::reverse_iterator<SecondaryStructureIterator> BALL::SecondaryStructureReverseIterator |
Definition at line 78 of file secondaryStructureIterator.h.
Default molecular graph type. Each edge and node has a label of type Index .
Definition at line 202 of file simpleMolecularGraph.h.
typedef BALL_SIZE_TYPE BALL::Size |
Size type. Use this type to represent sizes of containers, sequences or alike. Variables of type Size are unsigned.
Definition at line 114 of file COMMON/global.h.
typedef Spectrum<RegularData2D, Peak2D> BALL::Spectrum2D |
Two-dimensional spectrum.
Definition at line 322 of file spectrum.h.
typedef Spectrum<RegularData3D, Peak3D> BALL::Spectrum3D |
Three-dimensional spectrum.
Definition at line 325 of file spectrum.h.
typedef time_t BALL::Time |
Time type. Use this type to represent a point in time (as a replaecement for time_t).
Definition at line 123 of file COMMON/global.h.
typedef TVector3<float> BALL::Vector3 |
typedef TVector4<float> BALL::Vector4 |
enum BALL::ASCII |
Definition at line 211 of file COMMON/global.h.
BALL_EXPORT AtomContainerList BALL::atomContainers | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all base fragments from a kernel data structure.
BALL_EXPORT AtomList BALL::atoms | ( | const AtomList & | atoms, |
const String & | expression ) |
Extract atoms matching an expression. This method extracts all atoms from an atom list
that match the Expression expression
.
atoms | the AtomContainer containing the atoms |
expression | the expression that selects the atoms |
int BALL_DEPRECATED BALL_INLINE BALL::ball_macro_abs | ( | X | x | ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_all_bits_cleared | ( | ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_all_bits_set | ( | ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_angle_degree_to_radian | ( | T | deg_angle | ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_angle_radians_to_degree | ( | T | rad_angle | ) |
unsigned BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit | ( | Bit | bit | ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_clear | ( | Bitset & | bitset, |
Bit | bit ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_clear_all | ( | Bitset & | bitset | ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_clear_all_from | ( | Bitset & | bitset, |
Bit | bit ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_clear_all_to | ( | Bitset & | bitset, |
Bit | bit ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_is_cleared | ( | Bitset & | bitset, |
Bit | bit ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_is_set | ( | Bitset & | bitset, |
Bit | bit ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_set | ( | Bitset & | bitset, |
Bit | bit ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_set_all | ( | Bitset & | bitset | ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_set_all_from | ( | Bitset & | bitset, |
Bit | bit ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bit_set_all_to | ( | Bitset & | bitset, |
Bit | bit ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bitarray_clear_bit | ( | BitArray * | a, |
X | x ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bitarray_is_bit_set | ( | BitArray * | a, |
X | x ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bitarray_set_bit | ( | BitArray * | a, |
X | x ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bitarray_size | ( | T | x | ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_bitarray_toggle_bit | ( | BitArray * | a, |
X | x ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_char_bits | ( | ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_char_mask | ( | ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_char_shift | ( | ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_generic_echo | ( | T | value | ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_int_even | ( | X | x | ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_int_odd | ( | X | x | ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_max | ( | T | a, |
T | b ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_max3 | ( | T | a, |
T | b, | ||
T | c ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_min | ( | T | a, |
T | b ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_min3 | ( | T | a, |
T | b, | ||
T | c ) |
T BALL_DEPRECATED BALL_INLINE BALL::ball_macro_number_of_bytes | ( | T | x | ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_odd | ( | X | x | ) |
X BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_abs | ( | X | x | ) |
long BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_ceiling | ( | X | x | ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_equal | ( | X | x, |
Y | y, | ||
E | e ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_even | ( | X | x | ) |
long BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_floor | ( | X | x | ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_greater | ( | X | x, |
Y | y, | ||
E | e ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_greater_or_equal | ( | X | x, |
Y | y, | ||
E | e ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_less | ( | X | x, |
Y | y, | ||
E | e ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_less_or_equal | ( | X | x, |
Y | y, | ||
E | e ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_not_equal | ( | X | x, |
Y | y, | ||
E | e ) |
bool BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_odd | ( | X | x | ) |
X BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_round | ( | X | x | ) |
int BALL_DEPRECATED BALL_INLINE BALL::ball_macro_real_round_int | ( | X | x | ) |
int BALL_DEPRECATED BALL_INLINE BALL::ball_macro_sgn | ( | X | x | ) |
std::size_t BALL_DEPRECATED BALL_INLINE BALL::ball_macro_sizeof_array | ( | T(&) | [N] | ) |
void BALL_DEPRECATED BALL_INLINE BALL::ball_macro_sleepfor | ( | T | ms | ) |
BALL_EXPORT BondList BALL::bonds | ( | const Atom & | atom | ) |
Extract all bonds from an atom. This function returns all bonds of an atom.
BALL_EXPORT BondList BALL::bonds | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all bonds from a kernel data structure. This function extracts all bonds from the atoms contained in the base fragment. If selected_only
is set to true, only bonds are extracted where both atoms are selected.
BALL_EXPORT Angle BALL::calculateBondAngle | ( | const Atom & | a1, |
const Atom & | a2, | ||
const Atom & | a3 ) |
Calculate the bond angle between three atoms
BALL::Exception::IllegalPosition |
BALL_EXPORT void BALL::calculateResidueChi2Angles | ( | const Chain & | fragment, |
HashMap< const Residue *, float > & | residue_angles ) |
Calculate the Chi2 Angles for each residue. This method computes the chi2 angle of each residue and stores it in the given hash map.
All angles are in radian. Note, that the hash map is NOT cleaned up, but the results are appended to it.
residue_angles | a hash map containing the chi2 angles of the residues (returned) |
fragment | the kernel object containing the residues |
BALL_EXPORT void BALL::calculateResidueChi2Angles | ( | const Protein & | protein, |
HashMap< const Residue *, float > & | residue_angles ) |
Calculate the Chi2 Angles for each residue. This method computes the chi2 angle of each residue and stores it in the given hash map.
All angles are in radian. Note, that the hash map is NOT cleaned up, but the results are appended to it.
residue_angles | a hash map containing the chi2 angles the residues (returned) |
fragment | the kernel object containing the residues |
BALL_EXPORT float BALL::calculateResidueChi2Angles | ( | const Residue & | residue | ) |
Calculate the Chi2 Angles for a given residue in radian. If the given residue has no chi angle, zero is returned.
BALL_EXPORT void BALL::calculateResidueChiAngles | ( | const Chain & | fragment, |
HashMap< const Residue *, float > & | residue_angles ) |
Calculate the Chi Angles for each residue. This method computes the chi angle of each residue and stores it in the given hash map.
All angles are in radian. Note, that the hash map is NOT cleaned up, but the results are appended to it.
residue_angles | a hash map containing the chi angles of the residues (returned) |
fragment | the kernel object containing the residues |
BALL_EXPORT void BALL::calculateResidueChiAngles | ( | const Protein & | protein, |
HashMap< const Residue *, float > & | residue_angles ) |
Calculate the Chi Angles for each residue. This method computes the chi angle of each residue and stores it in the given hash map.
All angles are in radian. Note, that the hash map is NOT cleaned up, but the results are appended to it.
residue_angles | a hash map containing the chi angles of the residues (returned) |
fragment | the kernel object containing the residues |
BALL_EXPORT float BALL::calculateResidueChiAngles | ( | const Residue & | residue | ) |
Calculate the Chi Angles for a given residue in radian. If the given residue has no chi angle, zero is returned.
BALL_EXPORT Angle BALL::calculateTorsionAngle | ( | const Atom & | a1, |
const Atom & | a2, | ||
const Atom & | a3, | ||
const Atom & | a4 ) |
Calculate the torsion angle between four atoms
BALL::Exception::IllegalPosition |
BALL_EXPORT ChainList BALL::chains | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all chains from a kernel data structure.
BALL_EXPORT FragmentList BALL::fragments | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all fragments from a kernel data structure.
const Nucleotide * BALL::get3Prime | ( | const NucleotideContainerType & | nucleotide_container | ) |
Definition at line 338 of file nucleotide.h.
const Nucleotide * BALL::get5Prime | ( | const NucleotideContainerType & | nucleotide_container | ) |
Definition at line 326 of file nucleotide.h.
BALL_INLINE bool BALL::GetAngle | ( | const TLine3< T > & | a, |
const TLine3< T > & | b, | ||
TAngle< T > & | intersection_angle ) |
Get the angle between two lines.
a | the first line |
b | the second line |
intersection_angle | the resulting angle |
Definition at line 570 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetAngle | ( | const TLine3< T > & | line, |
const TPlane3< T > & | plane, | ||
TAngle< T > & | intersection_angle ) |
Get the angle between a line and a plane.
line | the line |
plane | the plane |
intersection_angle | the resulting angle |
Definition at line 647 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetAngle | ( | const TPlane3< T > & | a, |
const TPlane3< T > & | b, | ||
TAngle< T > & | intersection_angle ) |
Get the angle between two planes.
a | the first plane |
b | the second plane |
intersection_angle | the resulting angle |
Definition at line 661 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetAngle | ( | const TPlane3< T > & | plane, |
const TLine3< T > & | line, | ||
TAngle< T > & | intersection_angle ) |
Get the angle between a plane and a line.
plane | the plane |
line | the line |
intersection_angle | the resulting angle |
Definition at line 626 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetAngle | ( | const TPlane3< T > & | plane, |
const TVector3< T > & | vector, | ||
TAngle< T > & | intersection_angle ) |
Get the angle between a plane and a Vector3.
plane | the plane |
vector | the Vector3 |
intersection_angle | the resulting angle |
Definition at line 590 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetAngle | ( | const TVector3< T > & | a, |
const TVector3< T > & | b, | ||
TAngle< T > & | intersection_angle ) |
Get the angle between two Vector3.
a | the first vector |
b | the second vector |
intersection_angle | the resulting angle |
Definition at line 551 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetAngle | ( | const TVector3< T > & | vector, |
const TPlane3< T > & | plane, | ||
TAngle< T > & | intersection_angle ) |
Get the angle between a vector3 and a plane.
vector | the vector3 |
plane | the plane |
intersection_angle | the resulting angle |
Definition at line 613 of file analyticalGeometry.h.
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extern |
const Residue * BALL::getCTerminal | ( | const ResidueContainerType & | residue_container | ) |
T BALL::getDeterminant | ( | const T * | m, |
Size | dim ) |
Get the determinant of any matrix.
m | pointer to matrix |
dim | dimension of the matrix |
Definition at line 93 of file analyticalGeometry.h.
BALL_INLINE T BALL::getDeterminant2 | ( | const T & | m00, |
const T & | m01, | ||
const T & | m10, | ||
const T & | m11 ) |
Get the determinant of an 2x2 matrix.
m00 | first value of the matrix |
m01 | second value of the matrix |
m10 | third value of the matrix |
m11 | fourth value of the matrix |
Definition at line 133 of file analyticalGeometry.h.
BALL_INLINE T BALL::getDeterminant2 | ( | const T * | m | ) |
Get the determinant of an 2x2 matrix.
m | pointer to matrix |
Definition at line 119 of file analyticalGeometry.h.
BALL_INLINE T BALL::getDeterminant3 | ( | const T & | m00, |
const T & | m01, | ||
const T & | m02, | ||
const T & | m10, | ||
const T & | m11, | ||
const T & | m12, | ||
const T & | m20, | ||
const T & | m21, | ||
const T & | m22 ) |
Get the determinant of an 3x3 matrix.
m00,m01,m02,m10,m11,m12,m20,m21,m22 | the elements of the matrix |
Definition at line 159 of file analyticalGeometry.h.
BALL_INLINE T BALL::getDeterminant3 | ( | const T * | m | ) |
Get the determinant of an 3x3 matrix.
m | pointer to matrix |
Definition at line 143 of file analyticalGeometry.h.
BALL_INLINE T BALL::getDeterminant_ | ( | const T * | m, |
Size | dim ) |
Subroutine to get the determinant of any matrix. Direct usage of this function should be avoided. Instead use T getDeterminant(const T* m, Size dim)
m | pointer to matrix |
dim | dimension of the matrix |
Definition at line 57 of file analyticalGeometry.h.
Get the distance between two lines.
a | the first line |
b | the second line |
Exception::DivisionByZero | if the lines are parallel and a has length 0 |
Definition at line 433 of file analyticalGeometry.h.
BALL_INLINE T BALL::GetDistance | ( | const TLine3< T > & | line, |
const TPlane3< T > & | plane ) |
Get the distance between a line and a plane.
line | the line |
plane | the plane |
Exception::DivisionByZero | if the normal vector of plane has zero length |
Definition at line 502 of file analyticalGeometry.h.
BALL_INLINE T BALL::GetDistance | ( | const TLine3< T > & | line, |
const TVector3< T > & | point ) |
Get the distance between a line and a point.
line | the line |
point | the point |
Exception::DivisionByZero | if the line has length 0 |
Definition at line 404 of file analyticalGeometry.h.
BALL_INLINE T BALL::GetDistance | ( | const TPlane3< T > & | a, |
const TPlane3< T > & | b ) |
Get the distance between two planes.
a | the first plane |
b | the second plane |
Exception::DivisionByZero | if the normal vector of a has zero length |
Definition at line 533 of file analyticalGeometry.h.
BALL_INLINE T BALL::GetDistance | ( | const TPlane3< T > & | plane, |
const TLine3< T > & | line ) |
Get the distance between a plane and a line.
plane | the plane |
line | the line |
Exception::DivisionByZero | if the normal vector of plane has zero length |
Definition at line 520 of file analyticalGeometry.h.
BALL_INLINE T BALL::GetDistance | ( | const TPlane3< T > & | plane, |
const TVector3< T > & | point ) |
Get the distance between a plane and a point.
plane | the plane |
point | the point |
Exception::DivisionByZero | if the normal vector of plane has zero length |
Definition at line 489 of file analyticalGeometry.h.
BALL_INLINE T BALL::GetDistance | ( | const TVector3< T > & | a, |
const TVector3< T > & | b ) |
Get the distance between two points.
a | the first point |
b | the second point |
Definition at line 387 of file analyticalGeometry.h.
BALL_INLINE T BALL::GetDistance | ( | const TVector3< T > & | point, |
const TLine3< T > & | line ) |
Get the distance between a point and a line.
point | the point |
line | the line |
Exception::DivisionByZero | if the line has length 0 |
Definition at line 421 of file analyticalGeometry.h.
BALL_INLINE T BALL::GetDistance | ( | const TVector3< T > & | point, |
const TPlane3< T > & | plane ) |
Get the distance between a point and a plane.
point | the point |
plane | the plane |
Exception::DivisionByZero | if the normal vector of plane has zero length |
Definition at line 470 of file analyticalGeometry.h.
bool BALL::GetIntersection | ( | const TLine3< T > & | a, |
const TLine3< T > & | b, | ||
TVector3< T > & | point ) |
Get the intersection point between two lines.
a | the first line |
b | the second line |
point | the resulting intersection |
Definition at line 681 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetIntersection | ( | const TLine3< T > & | line, |
const TPlane3< T > & | plane, | ||
TVector3< T > & | intersection_point ) |
Get the intersection point between a line and a plane.
line | the line |
plane | the plane |
intersection_point | the resulting intersection |
Definition at line 720 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetIntersection | ( | const TLine3< T > & | line, |
const TSphere3< T > & | sphere, | ||
TVector3< T > & | intersection_point1, | ||
TVector3< T > & | intersection_point2 ) |
Get the intersection point between a line and a sphere.
line | the line |
sphere | the sphere |
intersection_point1 | the first intersection point |
intersection_point2 | the second intersection point |
Definition at line 824 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetIntersection | ( | const TPlane3< T > & | plane, |
const TLine3< T > & | line, | ||
TVector3< T > & | intersection_point ) |
Get the intersection point between a plane and a line.
plane | the plane |
line | the line |
intersection_point | the resulting intersection |
Definition at line 701 of file analyticalGeometry.h.
BALL_INLINE bool BALL::GetIntersection | ( | const TPlane3< T > & | plane, |
const TSphere3< T > & | sphere, | ||
TCircle3< T > & | intersection_circle ) |
Get the intersection circle between a plane and a sphere.
plane | the plane |
sphere | the sphere |
intersection_circle | the intersection circle |
Definition at line 870 of file analyticalGeometry.h.
bool BALL::GetIntersection | ( | const TPlane3< T > & | plane1, |
const TPlane3< T > & | plane2, | ||
TLine3< T > & | line ) |
Get the intersection line between two planes.
plane1 | the first plane |
plane2 | the second plane |
line | the resulting intersection |
Definition at line 732 of file analyticalGeometry.h.
bool BALL::GetIntersection | ( | const TSphere3< T > & | a, |
const TSphere3< T > & | b, | ||
TCircle3< T > & | intersection_circle ) |
Get the intersection circle between two spheres. This methods returns false, if the two spheres are identical, since then no intersection circle exists.
a | the first sphere |
b | the second sphere |
intersection_circle | the intersection circle |
Definition at line 884 of file analyticalGeometry.h.
bool BALL::GetIntersection | ( | const TSphere3< T > & | s1, |
const TSphere3< T > & | s2, | ||
const TSphere3< T > & | s3, | ||
TVector3< T > & | p1, | ||
TVector3< T > & | p2, | ||
bool | test = true ) |
Get the intersection points between three spheres.
s1 | the first sphere |
s2 | the second sphere |
s3 | the third sphere |
p1 | the first intersection point |
p2 | the second intersection point |
test |
Definition at line 929 of file analyticalGeometry.h.
bool BALL::GetIntersection | ( | const TSphere3< T > & | sphere, |
const TLine3< T > & | line, | ||
TVector3< T > & | intersection_point1, | ||
TVector3< T > & | intersection_point2 ) |
Get the intersection point between a sphere and a line.
sphere | the sphere |
line | the line |
intersection_point1 | the first intersection point |
intersection_point2 | the second intersection point |
Definition at line 799 of file analyticalGeometry.h.
bool BALL::GetIntersection | ( | const TSphere3< T > & | sphere, |
const TPlane3< T > & | plane, | ||
TCircle3< T > & | intersection_circle ) |
Get the intersection circle between a sphere and a plane.
sphere | the sphere |
plane | the plane |
intersection_circle | the intersection circle |
Definition at line 836 of file analyticalGeometry.h.
BALL_EXPORT HashIndex BALL::getNextPrime | ( | HashIndex | l | ) |
Calculate the next prime number. This method returns the first prime number that is greater or equal to the number given as the argument. Only odd prime numbers are returned, the lowest number returned is 3.
const Residue * BALL::getNTerminal | ( | const ResidueContainerType & | residue_container | ) |
TAngle< T > BALL::getOrientedAngle | ( | const T & | ax, |
const T & | ay, | ||
const T & | az, | ||
const T & | bx, | ||
const T & | by, | ||
const T & | bz, | ||
const T & | nx, | ||
const T & | ny, | ||
const T & | nz ) |
Return the oriented angle of two vectors with a normal vector.
Exception::DivisionByZero | if at least one vector is zero |
Definition at line 1259 of file analyticalGeometry.h.
BALL_INLINE TAngle< T > BALL::getOrientedAngle | ( | const TVector3< T > & | a, |
const TVector3< T > & | b, | ||
const TVector3< T > & | normal ) |
Return the oriented angle of two vectors with a normal vector.
Exception::DivisionByZero | if at least one vector is zero |
Definition at line 1301 of file analyticalGeometry.h.
BALL_INLINE TVector3< T > BALL::GetPartition | ( | const TVector3< T > & | a, |
const TVector3< T > & | b ) |
Get the partition of two vectors.
a | the first vector |
b | the second vector |
Definition at line 351 of file analyticalGeometry.h.
BALL_INLINE TVector3< T > BALL::GetPartition | ( | const TVector3< T > & | a, |
const TVector3< T > & | b, | ||
const T & | r, | ||
const T & | s ) |
Get the partition of two vectors, calculated with two ratio factors.
a | the first vector |
b | the second vector |
r | the ratio factor of the first vector |
s | the ratio factor of the second vector |
Exception::DivisionByZero | if r+s == 0 |
Definition at line 367 of file analyticalGeometry.h.
TAngle< T > BALL::getTorsionAngle | ( | const T & | ax, |
const T & | ay, | ||
const T & | az, | ||
const T & | bx, | ||
const T & | by, | ||
const T & | bz, | ||
const T & | cx, | ||
const T & | cy, | ||
const T & | cz, | ||
const T & | dx, | ||
const T & | dy, | ||
const T & | dz ) |
Return the torsion angle of four points to each other.
ax | 1. vector x component |
ay | 1. vector y component |
az | 1. vector z component |
bx | 2. vector x component |
by | 2. vector y component |
bz | 2. vector z component |
cx | 3. vector x component |
cy | 3. vector y component |
cz | 3. vector z component |
dx | 4. vector x component |
dy | 4. vector y component |
dz | 4. vector z component |
Exception::DivisionByZero | if one of the outer vectors is collinear with the middle one |
Definition at line 1323 of file analyticalGeometry.h.
BALL_EXPORT HashIndex BALL::Hash | ( | const std::pair< Position, Position > & | p | ) |
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inline |
String hash function. This method is optimized for the hashing of BALL strings. In fact, it is only an inline wrapper around hashString .
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inline |
String hash function. This method is optimized for the hashing of STL strings. In fact, it is only an inline wrapper around hashString .
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inline |
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inline |
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extern |
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extern |
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extern |
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BALL_INLINE bool BALL::isCollinear | ( | const TVector3< T > & | a, |
const TVector3< T > & | b ) |
Test whether two vector3 are collinear
a | the first vector3 |
b | the second vector3 |
Definition at line 1007 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isComplanar | ( | const TVector3< T > & | a, |
const TVector3< T > & | b, | ||
const TVector3< T > & | c ) |
Test whether three vector3 are complanar
a | the first vector3 |
b | the second vector3 |
c | the third vector3 |
Definition at line 1020 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isComplanar | ( | const TVector3< T > & | a, |
const TVector3< T > & | b, | ||
const TVector3< T > & | c, | ||
const TVector3< T > & | d ) |
Test whether four vector3 are complanar
a | the first vector3 |
b | the second vector3 |
c | the third vector3 |
d | the fourth vector3 |
Definition at line 1034 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isIntersecting | ( | const TLine3< T > & | a, |
const TLine3< T > & | b ) |
Test whether two lines are intersecting.
a | the first line |
b | the second line |
Definition at line 1154 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isIntersecting | ( | const TLine3< T > & | line, |
const TPlane3< T > & | plane ) |
Test whether a line is intersecting a plane.
line | the line |
plane | the plane |
Definition at line 1190 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isIntersecting | ( | const TLine3< T > & | line, |
const TVector3< T > & | point ) |
Test whether a line is intersecting a point.
line | the line |
point | the point |
Definition at line 1142 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isIntersecting | ( | const TPlane3< T > & | a, |
const TPlane3< T > & | b ) |
Test whether two planes are intersecting.
a | the first plane |
b | the second plane |
Definition at line 1214 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isIntersecting | ( | const TPlane3< T > & | plane, |
const TLine3< T > & | line ) |
Test whether a plane is intersecting a line.
plane | the plane |
line | the line |
Definition at line 1202 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isIntersecting | ( | const TPlane3< T > & | plane, |
const TVector3< T > & | point ) |
Test whether a point lies in a plane.
plane | the plane |
point | the point |
Definition at line 1178 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isIntersecting | ( | const TVector3< T > & | point, |
const TLine3< T > & | line ) |
Test whether a line is intersecting a point.
point | the point |
line | the line |
Definition at line 1130 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isIntersecting | ( | const TVector3< T > & | point, |
const TPlane3< T > & | plane ) |
Test whether a point lies in a plane.
point | the point |
plane | the plane |
Definition at line 1166 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isOrthogonal | ( | const TLine3< T > & | a, |
const TLine3< T > & | b ) |
Test whether two lines are orthogonal.
a | the first line |
b | the second line |
Definition at line 1082 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isOrthogonal | ( | const TLine3< T > & | line, |
const TVector3< T > & | vector ) |
Test whether a line and a vector3 are orthogonal
line | the line |
vector | the vector |
Definition at line 1070 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isOrthogonal | ( | const TPlane3< T > & | a, |
const TPlane3< T > & | b ) |
Test whether two planes are orthogonal.
a | the first plane |
b | the second plane |
Definition at line 1118 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isOrthogonal | ( | const TPlane3< T > & | plane, |
const TVector3< T > & | vector ) |
Test whether a plane and a vector3 are orthogonal.
plane | the plane |
vector | the vector3 |
Definition at line 1106 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isOrthogonal | ( | const TVector3< T > & | a, |
const TVector3< T > & | b ) |
Test whether two vector3 are orthogonal
a | the first vector3 |
b | the second vector3 |
Definition at line 1046 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isOrthogonal | ( | const TVector3< T > & | vector, |
const TLine3< T > & | line ) |
Test whether a vector3 and a line are orthogonal
vector | the vector |
line | the line |
Definition at line 1058 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isOrthogonal | ( | const TVector3< T > & | vector, |
const TPlane3< T > & | plane ) |
Test whether a vector3 and a plane are orthogonal.
vector | the vector3 |
plane | the plane |
Definition at line 1094 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isParallel | ( | const TLine3< T > & | line, |
const TPlane3< T > & | plane ) |
Test whether a line and a plane are parallel.
line | the line |
plane | the plane |
Definition at line 1226 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isParallel | ( | const TPlane3< T > & | a, |
const TPlane3< T > & | b ) |
Test whether two planes are parallel.
a | the first plane |
b | the second plane |
Definition at line 1250 of file analyticalGeometry.h.
BALL_INLINE bool BALL::isParallel | ( | const TPlane3< T > & | plane, |
const TLine3< T > & | line ) |
Test whether a plane and a line are parallel.
plane | the plane |
line | the line |
Definition at line 1238 of file analyticalGeometry.h.
BALL_EXPORT MoleculeList BALL::molecules | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all molecules from a kernel data structure.
BALL_EXPORT NucleicAcidList BALL::nucleicAcids | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all nucleic acids from a kernel data structure.
BALL_EXPORT NucleotideList BALL::nucleotides | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all nucleotides from a kernel data structure.
BALL_EXPORT bool BALL::operator!= | ( | const String & | s1, |
const String & | s2 ) |
Inequality operator.
BALL_INLINE TVector3< T > BALL::operator* | ( | const T & | a, |
const TVector3< T > & | b ) |
BALL_INLINE TVector4< T > BALL::operator* | ( | const T & | scalar, |
const TVector4< T > & | v ) |
BALL_INLINE TAngle< T > BALL::operator* | ( | const T & | val, |
const TAngle< T > & | angle ) |
BALL_INLINE TVector4< T > BALL::operator* | ( | const TVector4< T > & | v, |
const T & | scalar ) |
BALL_EXPORT String BALL::operator+ | ( | char | c, |
const String & | s ) |
Concatenates a character and a string.
BALL_EXPORT String BALL::operator+ | ( | char | c, |
String && | s ) |
Concatenates a character and a string.
BALL_EXPORT String BALL::operator+ | ( | const char * | char_ptr, |
const String & | s ) |
Concatenates a C type string and a string.
BALL_EXPORT String BALL::operator+ | ( | const char * | char_ptr, |
String && | s ) |
Concatenates a C type string and a string.
BALL_EXPORT String BALL::operator+ | ( | const String & | s, |
char | c ) |
Concatenates a string and a character.
BALL_EXPORT String BALL::operator+ | ( | const String & | s1, |
const char * | char_ptr ) |
Concatenates a string and a C type string.
BALL_EXPORT String BALL::operator+ | ( | const String & | s1, |
const String & | s2 ) |
Concatenates two strings.
BALL_EXPORT String BALL::operator+ | ( | const String & | s1, |
const string & | s2 ) |
Concatenates two strings.
BALL_EXPORT String BALL::operator+ | ( | const string & | s1, |
const String & | s2 ) |
Concatenates two strings.
BALL_EXPORT String BALL::operator+ | ( | const String & | s1, |
String && | s2 ) |
Concatenates two strings.
BALL_EXPORT String BALL::operator+ | ( | const String & | s1, |
string && | s2 ) |
Concatenates two strings.
BALL_EXPORT String BALL::operator+ | ( | const string & | s1, |
String && | s2 ) |
Concatenates two strings.
BALL_INLINE TAngle< T > BALL::operator+ | ( | const T & | val, |
const TAngle< T > & | angle ) |
BALL_INLINE TVector4< T > BALL::operator+ | ( | const TVector4< T > & | a, |
const TVector4< T > & | b ) |
ConstRandomAccessIterator< Container, DataType, Position, Traits > BALL::operator+ | ( | Distance | distance, |
const ConstRandomAccessIterator< Container, DataType, Position, Traits > & | iterator ) |
Return an incremented iterator. It points to the element with the given distance from the element of the given iterator.
Exception::InvalidIterator |
Definition at line 191 of file randomAccessIterator.h.
BALL_EXPORT String BALL::operator+ | ( | String && | s, |
char | c ) |
Concatenates a string and a character.
BALL_EXPORT String BALL::operator+ | ( | String && | s1, |
const char * | char_ptr ) |
Concatenates a string and a C type string.
BALL_EXPORT String BALL::operator+ | ( | String && | s1, |
const String & | s2 ) |
Concatenates two strings.
BALL_EXPORT String BALL::operator+ | ( | String && | s1, |
const string & | s2 ) |
Concatenates two strings.
BALL_EXPORT String BALL::operator+ | ( | string && | s1, |
const String & | s2 ) |
Concatenates two strings.
BALL_EXPORT String BALL::operator+ | ( | String && | s1, |
String && | s2 ) |
Concatenates two strings.
double BALL::operator- | ( | const Spectrum< DataT, PeakT, PositionT > & | s1, |
const Spectrum< DataT, PeakT, PositionT > & | s2 ) |
Difference operator. Calculate the sum of the unsigned differences of the two spectra
Definition at line 213 of file spectrum.h.
BALL_INLINE TAngle< T > BALL::operator- | ( | const T & | val, |
const TAngle< T > & | angle ) |
BALL_INLINE TVector4< T > BALL::operator- | ( | const TVector4< T > & | a, |
const TVector4< T > & | b ) |
Subtraction operator for two vectors
BALL_EXPORT bool BALL::operator< | ( | const String & | s1, |
const String & | s2 ) |
Less than comparison
::std::ostream & BALL::operator<< | ( | ::std::ostream & | os, |
const SnapShot & | ss ) |
Output stream operator for SnapShots.
const RegularData1D & BALL::operator<< | ( | RegularData1D & | to, |
const TFFT1D< ComplexTraits > & | from ) |
const RegularData2D & BALL::operator<< | ( | RegularData2D & | to, |
const TFFT2D< ComplexTraits > & | from ) |
Global assignment operator from FFT3D to TRegularData3D<float>. This operator assigns the real part of the complex TFFT2D-data to the TRegularData2D<float> to.
const RegularData3D & BALL::operator<< | ( | RegularData3D & | to, |
const TFFT3D< ComplexTraits > & | from ) |
Global assignment operator from TFFT3D to TRegularData3D<float>. This operator assigns the real part of the complex TFFT3D-data to the TRegularData3D<float> to.
std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const BALL::ShiftModel2D & | shiftmodel ) |
std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const BinaryFileAdaptor< T > & | data ) |
Output stream for BinaryFileAdaptors.
Definition at line 147 of file binaryFileAdaptor.h.
std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const Peak< PositionType > & | peak ) |
BALL_EXPORT std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const PreciseTime & | time ) |
Global stream operators for PreciseTime and TimeStamp Print the contents of a PreciseTime object to a stream.
std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const Spectrum< DataT, PeakT, PositionT > & | spectrum ) |
BALL_EXPORT std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const TimeStamp & | stamp ) |
Print the contents of a TimeStamp object to a stream.
std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const TRegularData1D< ValueType > & | data ) |
Output operator.
Definition at line 788 of file regularData1D.h.
std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const TRegularData2D< ValueType > & | data ) |
Output operator.
Definition at line 960 of file regularData2D.h.
std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const TRegularData3D< ValueType > & | grid ) |
Output operator.
Definition at line 1405 of file regularData3D.h.
std::ostream & BALL::operator<< | ( | std::ostream & | os, |
const TSimpleMolecularGraph< Node, Edge > & | G ) |
Definition at line 290 of file simpleMolecularGraph.h.
std::ostream & BALL::operator<< | ( | std::ostream & | out, | |||
const DockResult & | dock_res ) | |||||
throw | ( | ) |
Operator to write dock result into an ostream. Calls writeDockResult(std::ostream& file).
BALL_EXPORT std::ostream & BALL::operator<< | ( | std::ostream & | s, |
const Element & | element ) |
std::ostream & BALL::operator<< | ( | std::ostream & | s, |
const TAngle< T > & | angle ) |
std::ostream & BALL::operator<< | ( | std::ostream & | s, |
const TQuaternion< T > & | q ) |
Definition at line 596 of file quaternion.h.
std::ostream & BALL::operator<< | ( | std::ostream & | s, |
const TVector3< T > & | vector ) |
std::ostream & BALL::operator<< | ( | std::ostream & | s, |
const TVector4< T > & | v ) |
const TRegularData2D< typename TFFT2D< ComplexTraits >::Complex > & BALL::operator<< | ( | TRegularData2D< typename TFFT2D< ComplexTraits >::Complex > & | to, |
const TFFT2D< ComplexTraits > & | from ) |
const TRegularData3D< typename TFFT3D< ComplexTraits >::Complex > & BALL::operator<< | ( | TRegularData3D< typename TFFT3D< ComplexTraits >::Complex > & | to, |
const TFFT3D< ComplexTraits > & | from ) |
BALL_EXPORT bool BALL::operator<= | ( | const String & | s1, |
const String & | s2 ) |
Less than or equal comparison
BALL_EXPORT bool BALL::operator== | ( | const String & | s1, |
const String & | s2 ) |
Equality operator.
BALL_EXPORT bool BALL::operator> | ( | const String & | s1, |
const String & | s2 ) |
Greater than comparison
BALL_EXPORT bool BALL::operator>= | ( | const String & | s1, |
const String & | s2 ) |
Greater than or equal comparison
::std::istream & BALL::operator>> | ( | ::std::istream & | is, |
SnapShot & | ss ) |
Input stream operator for SnapShots.
std::istream & BALL::operator>> | ( | std::istream & | in, | |||
DockResult & | dock_res ) | |||||
throw | ( | ) |
Operator to read dock result into an istream. Calls readDockResult(std::istream& file) .
std::istream & BALL::operator>> | ( | std::istream & | is, |
BinaryFileAdaptor< T > & | data ) |
Input stream for BinaryFileAdaptors.
Definition at line 165 of file binaryFileAdaptor.h.
std::istream & BALL::operator>> | ( | std::istream & | is, |
Spectrum< DataT, PeakT, PositionT > & | spectrum ) |
std::istream & BALL::operator>> | ( | std::istream & | is, |
TRegularData1D< ValueType > & | grid ) |
Input operator.
Definition at line 802 of file regularData1D.h.
std::istream & BALL::operator>> | ( | std::istream & | is, |
TRegularData2D< ValueType > & | grid ) |
Input operator.
Definition at line 978 of file regularData2D.h.
std::istream & BALL::operator>> | ( | std::istream & | is, |
TRegularData3D< ValueType > & | grid ) |
Input operator.
Definition at line 1425 of file regularData3D.h.
std::istream & BALL::operator>> | ( | std::istream & | s, |
TAngle< T > & | angle ) |
std::istream & BALL::operator>> | ( | std::istream & | s, |
TQuaternion< T > & | q ) |
Definition at line 588 of file quaternion.h.
std::istream & BALL::operator>> | ( | std::istream & | s, |
TVector3< T > & | vector ) |
std::istream & BALL::operator>> | ( | std::istream & | s, |
TVector4< T > & | v ) |
BALL_EXPORT PDBAtomList BALL::PDBAtoms | ( | const AtomContainer & | fragment, |
const String & | expression = String() ) |
Extract PDB atoms matching an expression. This method extracts all PDB atoms of a kernel data structure into a list that match the Expression expression
. If no expression is given, all PDB atoms will be returned.
fragment | the AtomContainer containing the atoms |
expression | the expression that selects the atoms (default: no expression) |
BALL_EXPORT ProteinList BALL::proteins | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all proteins from a kernel data structure.
BALL_EXPORT ResidueList BALL::residues | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all residues from a kernel data structure.
BALL_EXPORT SecondaryStructureList BALL::secondaryStructures | ( | const AtomContainer & | fragment, |
bool | selected_only = false ) |
Extract all secondary structures from a kernel data structure.
BALL_EXPORT bool BALL::setTorsionAngle | ( | const Atom & | a1, |
const Atom & | a2, | ||
Atom & | a3, | ||
const Atom & | a4, | ||
Angle | angle ) |
Set the torsion angle defined by a1, a2, a3, a4. The atoms should be connected by bonds The position of a1 and a2 is kept fix, while the connected component containing a4 is rotated accordingly.
short BALL::SolveQuadraticEquation | ( | const T & | a, |
const T & | b, | ||
const T & | c, | ||
T & | x1, | ||
T & | x2 ) |
Solve a quadratic equation of the form a
a | |
b | |
c | |
x1 | the first solution |
x2 | the second solution |
Definition at line 310 of file analyticalGeometry.h.
Solve a system of linear equations. Given a system of linear equations
m
should point to a C-style array containing the x
points to a C-style array that will contain the solution vector x upon successful termination of the function. m | pointer to the factors in the equations |
x | pointer in which the results are stored |
dim | the dimension of the equation system (number of variables) |
true
if a solution is found Definition at line 191 of file analyticalGeometry.h.
BALL_INLINE bool BALL::SolveSystem2 | ( | const T & | a1, |
const T & | b1, | ||
const T & | c1, | ||
const T & | a2, | ||
const T & | b2, | ||
const T & | c2, | ||
T & | x1, | ||
T & | x2 ) |
Solve a system of two equations of the form
a1,b1,c1,a2,b2,c2 | constants of the system |
x1 | the first solution |
x2 | the second solution |
true
if a solution is found Definition at line 285 of file analyticalGeometry.h.
BALL_EXPORT void BALL::swapBytes | ( | double & | ) |
BALL_EXPORT void BALL::swapBytes | ( | float & | ) |
BALL_EXPORT void BALL::swapBytes | ( | int & | ) |
BALL_EXPORT void BALL::swapBytes | ( | long & | ) |
BALL_EXPORT void BALL::swapBytes | ( | short & | ) |
void BALL::swapBytes | ( | T & | t | ) |
Coping with endianness. This function swaps the bytes of a variable of type T if this type is of size 2n.
Definition at line 17 of file binaryFileAdaptor.h.
BALL_EXPORT void BALL::swapBytes | ( | unsigned int & | ) |
BALL_EXPORT void BALL::swapBytes | ( | unsigned long & | ) |
BALL_EXPORT void BALL::swapBytes | ( | unsigned short & | ) |
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Definition at line 233 of file COMMON/global.h.
Definition at line 232 of file COMMON/global.h.
Definition at line 237 of file COMMON/global.h.
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Definition at line 236 of file COMMON/global.h.
Definition at line 241 of file COMMON/global.h.
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Definition at line 240 of file COMMON/global.h.
Definition at line 231 of file COMMON/global.h.
Definition at line 235 of file COMMON/global.h.
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Definition at line 239 of file COMMON/global.h.
Definition at line 243 of file COMMON/global.h.
Definition at line 247 of file COMMON/global.h.
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Global static instance of a logstream. This instance of LogStream is by default bound to cout cerr by calling the default constructor.
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hold the maximum number of MMFF94 atom types + 1 (wildcard)
Definition at line 245 of file COMMON/global.h.
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Definition at line 244 of file COMMON/global.h.
Definition at line 249 of file COMMON/global.h.
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Definition at line 248 of file COMMON/global.h.
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