/home/msneddon/eclipse/galileoSR1_cpp/workspace/NFsim/src/NFinput/parseSymRxns.cpp File Reference

#include "NFinput.hh"

Functions
bool	NFinput::FindReactionRuleSymmetry (TiXmlElement *pRxnRule, System *s, map< string, double > &parameter, map< string, int > &allowedStates, map< string, component > &symComps, map< string, component > &symRxnCenter, bool verbose)
void	createSymMap (map< string, component > &symMap, vector< string > &uniqueId, vector< vector< component > > &symRxnCenterComp, vector< int > &currentPos)
void	createMoleculeSymMap (map< string, component > &symMap, int mId, vector< vector< vector< component > > > &symmetries, vector< bool > &isRxnCenter, vector< vector< int > > &originalPosition, vector< int > &currentPosition)
void	createFullSymMaps (vector< map< string, component > > &permutations, vector< vector< map< string, component > > > &symMaps, bool verbose)
void	assembleFullSymmetryList (vector< vector< vector< component > > > &symmetries, vector< string > &moleculeIds, map< string, component > &symComps, bool isRxnCenter)
void	assembleFullSymmetryListOnRxnCenter (vector< vector< vector< component > > > &symmetries, vector< string > &moleculeIds, map< string, component > &symComps)
bool	isMoleculePermuationValid (int mId, vector< vector< vector< component > > > &symmetries, vector< vector< int > > &originalPosition, vector< string > &uniqueComponents, vector< int > &currentPosition, vector< map< string, component > > &thisMoleculeSymMap)
void	assembleOffRxnCenterSymClasses (vector< vector< vector< string > > > &offRxnCenterSymClasses, vector< string > &moleculeIds, map< string, component > &symComps)
bool	NFinput::generateRxnPermutations (vector< map< string, component > > &permutations, map< string, component > &symComps, map< string, component > &symRxnCenter, bool verbose)
bool	NFinput::lookup (component *&c, string id, map< string, component > &comps, map< string, component > &symMap)
bool	NFinput::readPatternForSymmetry (TiXmlElement *pListOfMol, System *s, string patternName, map< string, component > &comps, map< string, component > &symComps, bool verbose)

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Function Documentation

void assembleFullSymmetryList	(	vector< vector< vector< component > > > &	symmetries,
		vector< string > &	moleculeIds,
		map< string, component > &	symComps,
		bool	isRxnCenter
	)

void assembleFullSymmetryListOnRxnCenter	(	vector< vector< vector< component > > > &	symmetries,
		vector< string > &	moleculeIds,
		map< string, component > &	symComps
	)

void assembleOffRxnCenterSymClasses	(	vector< vector< vector< string > > > &	offRxnCenterSymClasses,
		vector< string > &	moleculeIds,
		map< string, component > &	symComps
	)

void createFullSymMaps	(	vector< map< string, component > > &	permutations,
		vector< vector< map< string, component > > > &	symMaps,
		bool	verbose
	)

void createMoleculeSymMap	(	map< string, component > &	symMap,
		int	mId,
		vector< vector< vector< component > > > &	symmetries,
		vector< bool > &	isRxnCenter,
		vector< vector< int > > &	originalPosition,
		vector< int > &	currentPosition
	)

void createSymMap	(	map< string, component > &	symMap,
		vector< string > &	uniqueId,
		vector< vector< component > > &	symRxnCenterComp,
		vector< int > &	currentPos
	)

bool isMoleculePermuationValid	(	int	mId,
		vector< vector< vector< component > > > &	symmetries,
		vector< vector< int > > &	originalPosition,
		vector< string > &	uniqueComponents,
		vector< int > &	currentPosition,
		vector< map< string, component > > &	thisMoleculeSymMap
	)

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