BALL 1.5.0
Loading...
Searching...
No Matches
BALL::HybridisationProcessor::Default Struct Reference

Default values for options. More...

#include <BALL/STRUCTURE/hybridisationProcessor.h>

Static Public Attributes

static const char * ATOM_TYPE_SMARTS_FILENAME
 default file name for the atom type smarts
 
static const char * ATOM_TYPE_FF_FILENAME
 
static const String METHOD
 

Detailed Description

Default values for options.

Definition at line 78 of file hybridisationProcessor.h.

Member Data Documentation

◆ ATOM_TYPE_FF_FILENAME

const char* BALL::HybridisationProcessor::Default::ATOM_TYPE_FF_FILENAME
static

default file name for the atom types, hybridisation states, and bond angles (force field based)

Definition at line 86 of file hybridisationProcessor.h.

◆ ATOM_TYPE_SMARTS_FILENAME

const char* BALL::HybridisationProcessor::Default::ATOM_TYPE_SMARTS_FILENAME
static

default file name for the atom type smarts

Definition at line 81 of file hybridisationProcessor.h.

◆ METHOD

const String BALL::HybridisationProcessor::Default::METHOD
static

this option is set to HybridisationProcessor::Method::SMART_MATCHING by default

Definition at line 91 of file hybridisationProcessor.h.