MTK++ Latest version: 0.2.0

MTKpp::zmatParser Member List
This is the complete list of members for MTKpp::zmatParser, including all inherited members.
baseParser()MTKpp::baseParser
bErrorMTKpp::baseParser [protected]
determineElement(std::string &name)MTKpp::baseParser
errorMessageMTKpp::baseParser [protected]
genZmatrix(molecule *pMolecule, std::vector< std::vector< std::string > > &zmatrix, std::map< std::string, double > &zmatData, std::map< int, int > &atomMap)MTKpp::zmatParser
getError()MTKpp::baseParser [inline]
getErrorMessage()MTKpp::baseParser [inline]
NUM_INDENTS_PER_SPACEMTKpp::baseParser [protected]
OpenFile(std::string fileName)MTKpp::baseParser
outputFileStreamMTKpp::baseParser [protected]
Read(const std::string &i, collection *c, std::vector< std::vector< std::string > > &zmatrix, std::map< std::string, double > &zmatData)MTKpp::zmatParser
MTKpp::baseParser::Read()MTKpp::baseParser [virtual]
setError(int i)MTKpp::baseParser [inline]
setErrorMessage(std::string s)MTKpp::baseParser [inline]
Write(const std::string &o, molecule *m)MTKpp::zmatParser
Write(const std::string &o, molecule *m, std::vector< vector3d > &coordinates)MTKpp::zmatParser
Write(const std::string &o, collection *c, const int &molID)MTKpp::zmatParser
MTKpp::baseParser::Write()MTKpp::baseParser [virtual]
zmatParser()MTKpp::zmatParser
~baseParser()MTKpp::baseParser [virtual]
~zmatParser()MTKpp::zmatParser

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