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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#include <cmath>#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. | |