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

Go to the source code of this file.

Namespaces

namespace  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.
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.
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.
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.
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