, including all inherited members.
| _accuracy | OBSpectrophore | [protected] |
| _beginProbe | OBSpectrophore | [protected] |
| _boxPoint | OBSpectrophore | [protected] |
| _calculateProperties(OpenBabel::OBMol *) | OBSpectrophore | [protected] |
| _coor | OBSpectrophore | [protected] |
| _endProbe | OBSpectrophore | [protected] |
| _getBox(double **) | OBSpectrophore | [protected] |
| _getEnergies(double **, double *) | OBSpectrophore | [protected] |
| _getMoleculeData(OpenBabel::OBMol *) | OBSpectrophore | [protected] |
| _initiateSpectrophore(double *, double *) | OBSpectrophore | [protected] |
| _luDecompose(double **, std::vector< int > &, unsigned int) | OBSpectrophore | [protected] |
| _luSolve(double **, std::vector< int > &, double *, unsigned int) | OBSpectrophore | [protected] |
| _nAtoms | OBSpectrophore | [protected] |
| _normalization | OBSpectrophore | [protected] |
| _numberOfProbes | OBSpectrophore | [protected] |
| _oricoor | OBSpectrophore | [protected] |
| _orient(void) | OBSpectrophore | [protected] |
| _probe | OBSpectrophore | [protected] |
| _property | OBSpectrophore | [protected] |
| _radii | OBSpectrophore | [protected] |
| _resolution | OBSpectrophore | [protected] |
| _rotateX(double **, double **, const double, const double) | OBSpectrophore | [protected] |
| _rotateY(double **, double **, const double, const double) | OBSpectrophore | [protected] |
| _rotateZ(double **, double **, const double, const double) | OBSpectrophore | [protected] |
| _rotationStepList | OBSpectrophore | [protected] |
| _setBox(void) | OBSpectrophore | [protected] |
| _solveMatrix(double **, double *, unsigned int) | OBSpectrophore | [protected] |
| _spectro | OBSpectrophore | [protected] |
| _stereoFlag | OBSpectrophore | [protected] |
| _swapRows(double *, unsigned int, unsigned int) | OBSpectrophore | [protected] |
| _swapRows(double **, unsigned int, unsigned int, unsigned int) | OBSpectrophore | [protected] |
| _updateSpectrophore(double *, double *) | OBSpectrophore | [protected] |
| AccuracyOption enum name | OBSpectrophore | |
| AllStereoSpecificProbes enum value | OBSpectrophore | |
| AngStepSize1 enum value | OBSpectrophore | |
| AngStepSize10 enum value | OBSpectrophore | |
| AngStepSize15 enum value | OBSpectrophore | |
| AngStepSize2 enum value | OBSpectrophore | |
| AngStepSize20 enum value | OBSpectrophore | |
| AngStepSize30 enum value | OBSpectrophore | |
| AngStepSize36 enum value | OBSpectrophore | |
| AngStepSize45 enum value | OBSpectrophore | |
| AngStepSize5 enum value | OBSpectrophore | |
| AngStepSize60 enum value | OBSpectrophore | |
| GetAccuracy(void) const | OBSpectrophore | |
| GetNormalization(void) const | OBSpectrophore | |
| GetResolution(void) const | OBSpectrophore | |
| GetSpectrophore(OpenBabel::OBMol *mol) | OBSpectrophore | |
| GetStereo(void) const | OBSpectrophore | |
| MirrorStereoSpecificProbes enum value | OBSpectrophore | |
| NoNormalization enum value | OBSpectrophore | |
| NormalizationOption enum name | OBSpectrophore | |
| NormalizationTowardsUnitStd enum value | OBSpectrophore | |
| NormalizationTowardsZeroMean enum value | OBSpectrophore | |
| NormalizationTowardsZeroMeanAndUnitStd enum value | OBSpectrophore | |
| NoStereoSpecificProbes enum value | OBSpectrophore | |
| OBSpectrophore(void) | OBSpectrophore | |
| OBSpectrophore(const OBSpectrophore &sphore) | OBSpectrophore | |
| operator=(const OBSpectrophore &sphore) | OBSpectrophore | |
| SetAccuracy(const AccuracyOption a=AngStepSize20) | OBSpectrophore | |
| SetNormalization(const NormalizationOption n=NoNormalization) | OBSpectrophore | |
| SetResolution(const double r=3.0) | OBSpectrophore | |
| SetStereo(const StereoOption s=NoStereoSpecificProbes) | OBSpectrophore | |
| StereoOption enum name | OBSpectrophore | |
| UniqueStereoSpecificProbes enum value | OBSpectrophore | |
| v | OBSpectrophore | |
| value | OBSpectrophore | |
| x | OBSpectrophore | |
| y | OBSpectrophore | |
| z | OBSpectrophore | |
| ~OBSpectrophore(void) | OBSpectrophore | [virtual] |
1.7.2.
