OEGetAngleΒΆ
double OEGetAngle(const OEMolBase &mol, const OEAtomBase *a, const OEAtomBase *b,
const OEAtomBase *c)
double OEGetAngle(const OEConfBase &conf, const OEAtomBase *a,
const OEAtomBase *b, const OEAtomBase *c)
double OEGetAngle(const OEMolBase &ma, const OEAtomBase *a, const OEMolBase &mb,
const OEAtomBase *b, const OEMolBase &mc, const OEAtomBase *c)
double OEGetAngle(const OEConfBase &ca, const OEAtomBase *a,
const OEConfBase &cb, const OEAtomBase *b,
const OEConfBase &cc, const OEAtomBase *c)
Returns the angle formed by three atoms where the atom passed in as the b argument is the vertex. The function which takes a single OEMolBase argument assumes that all three atoms are contained in the single molecule. The OEConfBase overload functions are not strictly necessary, but are useful for efficiency.
- mol
- The molecule that the atoms belong to (when all atoms belong to the same molecule).
- conf
- The conformer that the atoms belong to (when all atoms belong to the same conformer).
- a
- One of the end atoms.
- b
- The vertex atom.
- c
- One of the end atoms.
- ma
- The molecule that atom a belongs to (when the atoms are in three different molecule).
- mb
- The molecule that atom b belongs to (when the atoms are in three different molecule).
- mc
- The molecule that atom c belongs to (when the atoms are in three different molecule).
- ca
- The conformer that atom a belongs to (when the atoms are in three different conformer).
- cb
- The conformer that atom b belongs to (when the atoms are in three different conformer).
- cc
- The conformer that atom c belongs to (when the atoms are in three different conformer).