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RDKit
Open-source cheminformatics and machine learning.
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#include <point.h>
Public Member Functions | |
| constexpr | Point3D () |
| constexpr | Point3D (double xv, double yv, double zv) |
| constexpr | ~Point3D () override |
| constexpr | Point3D (const Point3D &other) |
| constexpr Point * | copy () const override |
| constexpr unsigned int | dimension () const override |
| constexpr double | operator[] (unsigned int i) const override |
| constexpr double & | operator[] (unsigned int i) override |
| constexpr Point3D & | operator= (const Point3D &other) |
| constexpr Point3D & | operator+= (const Point3D &other) |
| constexpr Point3D & | operator-= (const Point3D &other) |
| constexpr Point3D & | operator*= (double scale) |
| constexpr Point3D & | operator/= (double scale) |
| constexpr Point3D | operator- () const |
| constexpr void | normalize () override |
| double | length () const override |
| constexpr double | lengthSq () const override |
| constexpr double | dotProduct (const Point3D &other) const |
| double | angleTo (const Point3D &other) const |
| determines the angle between a vector to this point from the origin and a vector to the other point. | |
| double | signedAngleTo (const Point3D &other) const |
| determines the signed angle between a vector to this point from the origin and a vector to the other point. | |
| Point3D | directionVector (const Point3D &other) const |
| Returns a normalized direction vector from this point to another. | |
| constexpr Point3D | crossProduct (const Point3D &other) const |
| Cross product of this point with the another point. | |
| Point3D | getPerpendicular () const |
| Get a unit perpendicular from this point (treating it as a vector): | |
Public Member Functions inherited from RDGeom::Point | |
| virtual constexpr | ~Point () |
Public Attributes | |
| double | x {0.0} |
| double | y {0.0} |
| double | z {0.0} |
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inlineconstexpr |
Definition at line 59 of file point.h.
Referenced by angleTo(), copy(), crossProduct(), directionVector(), dotProduct(), getPerpendicular(), operator*=(), operator+=(), operator-(), operator-=(), operator/=(), operator=(), Point3D(), and signedAngleTo().
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determines the angle between a vector to this point from the origin and a vector to the other point.
The angle is unsigned: the results of this call will always be between 0 and M_PI
Definition at line 180 of file point.h.
References dotProduct(), lengthSq(), M_PI, and Point3D().
Referenced by signedAngleTo().
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Implements RDGeom::Point.
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Implements RDGeom::Point.
Definition at line 158 of file point.h.
Referenced by RDGeom::compute14Dist3D(), getPerpendicular(), and normalize().
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Implements RDGeom::Point.
Definition at line 147 of file point.h.
References length(), x, y, z, and zero_tolerance.
Referenced by directionVector().
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inline |
| double RDGeom::Point3D::x {0.0} |
Definition at line 55 of file point.h.
Referenced by RDMIF::calculateDescriptors(), crossProduct(), directionVector(), dotProduct(), getPerpendicular(), length(), lengthSq(), normalize(), operator*=(), operator+=(), operator-(), operator-=(), operator/=(), operator=(), operator[](), operator[](), Point3D(), Point3D(), and signedAngleTo().
| double RDGeom::Point3D::y {0.0} |
Definition at line 56 of file point.h.
Referenced by RDMIF::calculateDescriptors(), crossProduct(), directionVector(), dotProduct(), getPerpendicular(), length(), lengthSq(), normalize(), operator*=(), operator+=(), operator-(), operator-=(), operator/=(), operator=(), operator[](), operator[](), Point3D(), Point3D(), and signedAngleTo().
| double RDGeom::Point3D::z {0.0} |
Definition at line 57 of file point.h.
Referenced by RDMIF::calculateDescriptors(), crossProduct(), directionVector(), dotProduct(), getPerpendicular(), length(), lengthSq(), normalize(), operator*=(), operator+=(), operator-(), operator-=(), operator/=(), operator=(), operator[](), operator[](), Point3D(), and Point3D().