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

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Detailed Description

Default values for options.

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Member Data Documentation

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)

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

default file name for the atom type smarts

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

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