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double OEGetAbsTorsion(const OEMolBase &,
const OEAtomBase *a,
const OEAtomBase *b,
const OEAtomBase *c,
const OEAtomBase *d)
double OEGetAbsTorsion(const OEConfBaseT<float,3> &,
const OEAtomBase *a,
const OEAtomBase *b,
const OEAtomBase *c,
const OEAtomBase *d)
Returns the absolute value of the torsion defined by atoms a, b, c, and d.
The return value is in radians and varies from 0 to +PI. This function
returns the same value as fabs(OEGetTorsion()), yet it is more
efficient. These functions assume that the four atoms are members of the
molecule or conformer which is passed to the function. The OEConfBaseT
overload is strictly for efficiency.
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