RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <memory>
#include <RDGeneral/Invariant.h>
#include <cmath>
#include <string>
#include <vector>
#include <algorithm>
#include <map>
#include <iostream>
#include <cstdint>
Go to the source code of this file.
Namespaces | |
namespace | ForceFields |
namespace | ForceFields::MMFF |
Macros | |
#define | M_PI 3.14159265358979323846 |
Functions | |
bool | ForceFields::MMFF::isDoubleZero (const double x) |
void | ForceFields::MMFF::clipToOne (double &x) |
Variables | |
const double | ForceFields::MMFF::DEG2RAD = M_PI / 180.0 |
const double | ForceFields::MMFF::RAD2DEG = 180.0 / M_PI |
const double | ForceFields::MMFF::MDYNE_A_TO_KCAL_MOL = 143.9325 |
#define M_PI 3.14159265358979323846 |
Definition at line 27 of file MMFF/Params.h.
Referenced by RDGeom::Point3D::angleTo(), RDDepict::computeSubAngle(), MolTransforms::getAngleDeg(), MolTransforms::getDihedralDeg(), RDDepict::rotationDir(), MolTransforms::setAngleDeg(), MolTransforms::setDihedralDeg(), RDGeom::Point2D::signedAngleTo(), and RDGeom::Point3D::signedAngleTo().