BALL::HybridisationProcessor::Default Struct Reference

Default values for options. More...

#include <BALL/STRUCTURE/hybridisationProcessor.h>

List of all members.


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

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

Definition at line 86 of file hybridisationProcessor.h.

default file name for the atom type smarts

Definition at line 81 of file hybridisationProcessor.h.

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

Definition at line 91 of file hybridisationProcessor.h.


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