RDKit
Open-source cheminformatics and machine learning.
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Utils.h File Reference
#include <math.h>
#include "point.h"
#include "Transform3D.h"
#include "Transform.h"

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Namespaces

 RDGeom
 

Functions

double RDGeom::compute13Dist (double d1, double d2, double angle)
 Compute the 13 distance between points give the 12 distances and the angle between the axes. More...
 
double RDGeom::compute14Dist3D (double d1, double d2, double d3, double ang12, double ang23, double torAng)
 Compute the 14 distances give the 12 distance and the angles. More...
 
double RDGeom::compute14DistCis (double d1, double d2, double d3, double ang12, double ang23)
 Compute the 14 distances give the 12 distance and bond angle for cis configuration. More...
 
double RDGeom::compute14DistTrans (double d1, double d2, double d3, double ang12, double ang23)
 Compute the 14 distances give the 12 distance and bond angle for trans configuration. More...