CrdFactory Member List

This is the complete list of members for CrdFactory, including all inherited members.

AUTOANGCrdFactory [private, static]
braboExtension(const QString filename)CrdFactory [private, static]
Cancelled enum valueCrdFactory
convert(const QString inputFileName, const QString outputFileName, const bool extendedFormat=false)CrdFactory [static]
CrdFactory()CrdFactory [private]
determineCrdFormat(QStringList &lines)CrdFactory [private, static]
determinePunchFormat(QStringList &lines)CrdFactory [private, static]
ErrorOpen enum valueCrdFactory
ErrorRead enum valueCrdFactory
ErrorWrite enum valueCrdFactory
ExtendedFormat enum valueCrdFactory
gaussianExtension(const QString filename)CrdFactory [private, static]
NormalFormat enum valueCrdFactory
OK enum valueCrdFactory
possiblyExtendedCrd(const QString line)CrdFactory [private, static]
possiblyNormalCrd(const QString line)CrdFactory [private, static]
readBraboFile(AtomSet *atoms, const QString filename)CrdFactory [private, static]
readBraboForces(AtomSet *atoms, const QString filename)CrdFactory [private, static]
readCrdAtoms(AtomSet *atoms, QStringList &lines, const bool extendedFormat)CrdFactory [private, static]
readForces(AtomSet *atoms, QString filename)CrdFactory [static]
readFromFile(AtomSet *atoms, QString filename)CrdFactory [static]
readFromFile(AtomSet *atoms)CrdFactory [static]
readGaussianFile(AtomSet *atoms, const QString filename)CrdFactory [private, static]
readPunchForces(AtomSet *atoms, QStringList &lines, const bool extendedFormat)CrdFactory [private, static]
readXmolFile(AtomSet *atoms, const QString filename)CrdFactory [private, static]
returnCodes enum nameCrdFactory
supportedInputFormats()CrdFactory [private, static]
supportedOutputFormats()CrdFactory [private, static]
UnknownExtension enum valueCrdFactory
UnknownFormat enum valueCrdFactory
validForceInputFormat(const QString filename)CrdFactory [private, static]
validInputFormat(const QString filename)CrdFactory [private, static]
validOutputFormat(const QString filename)CrdFactory [private, static]
writeBraboFile(AtomSet *atoms, const QString filename, const bool extendedFormat)CrdFactory [private, static]
writeToFile(AtomSet *atoms, QString filename=QString::null, bool extendedFormat=false)CrdFactory [static]
xmolExtension(const QString filename)CrdFactory [private, static]
~CrdFactory()CrdFactory


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