BALL::HybridisationProcessor::Option Struct Reference

Option names. More...

#include <BALL/STRUCTURE/hybridisationProcessor.h>

Static Public Attributes
static const char *	ATOM_TYPE_SMARTS_FILENAME
static const char *	ATOM_TYPE_FF_FILENAME
static const String	METHOD

Detailed Description

Option names.

Definition at line 52 of file hybridisationProcessor.h.

Member Data Documentation

const char* BALL::HybridisationProcessor::Option::ATOM_TYPE_FF_FILENAME

static

Name to the file where the atom types, corresponding hybridisation states, and bond angles are stored in (force field based method).

Definition at line 62 of file hybridisationProcessor.h.

const char* BALL::HybridisationProcessor::Option::ATOM_TYPE_SMARTS_FILENAME

static

Name to the file where the atom types and corresponding hybridisation states are stored in.

Definition at line 57 of file hybridisationProcessor.h.

const String BALL::HybridisationProcessor::Option::METHOD

static

If true, the existing bonds are deleted before bonds detection begins. If the atoms are in non-bond distance no bonds will be build! Note that the processor cannot rebuild inter-atomcontainer bonds, that will cause problem using it with proteins.Technique to compute the hybridisation states.

Definition at line 73 of file hybridisationProcessor.h.