AUTOANG | CrdFactory | [private, static] |
braboExtension(const QString filename) | CrdFactory | [private, static] |
Cancelled enum value | CrdFactory | |
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 value | CrdFactory | |
ErrorRead enum value | CrdFactory | |
ErrorWrite enum value | CrdFactory | |
ExtendedFormat enum value | CrdFactory | |
gaussianExtension(const QString filename) | CrdFactory | [private, static] |
NormalFormat enum value | CrdFactory | |
OK enum value | CrdFactory | |
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 name | CrdFactory | |
supportedInputFormats() | CrdFactory | [private, static] |
supportedOutputFormats() | CrdFactory | [private, static] |
UnknownExtension enum value | CrdFactory | |
UnknownFormat enum value | CrdFactory | |
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 | |