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OBSpectrophore Member List
This is the complete list of members for OBSpectrophore, 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]`

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