DistanceConstraints

All class functions are defined inline.

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Class Summary

class DistanceConstraints
{

public:
	DistanceConstraints(const ChemMolecule& receptor, const ChemMolecule& ligand);
struct	DistanceConstraintsParams ;
struct	PointDistanceConstraintsParams ;
bool	isConstraintsSatisfyingTrans(const RigidTrans3& trans) const ;
protected:

}; // DistanceConstraints

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KEYWORD

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AUTHORS

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CHANGES LOG

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GOALS

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USAGE

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DistanceConstraints(const ChemMolecule& receptor, const ChemMolecule& ligand);

  DistanceConstraints(const ChemMolecule& receptor, const ChemMolecule& ligand);

Function is currently defined inline.

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struct DistanceConstraintsParams ;

  struct DistanceConstraintsParams {
    //DistanceConstraintsParams() : min_distance_thr(0.0), max_distance_thr(0.0) {}
////
    static bool add(const string str);
////
    static int receptor_atom_index;
////
    static int ligand_atom_index;
////
    static float min_distance_thr;
////
    static float max_distance_thr;
  };

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struct PointDistanceConstraintsParams ;

  struct PointDistanceConstraintsParams {
    //PointDistanceConstraintsParams() : min_distance_thr(0.0), max_distance_thr(0.0) {}
////
    static bool add(const string str);
////
    static Vector3 receptor_point;
////
    static Vector3 ligand_point;
////
    static float min_distance_thr;
////
    static float max_distance_thr;
  };

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bool isConstraintsSatisfyingTrans(const RigidTrans3& trans) const ;

  bool isConstraintsSatisfyingTrans(const RigidTrans3& trans) const                                                                                                                                                          
;

Function is currently defined inline.

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All Members

public:
struct	DistanceConstraintsParams ;
struct	PointDistanceConstraintsParams ;
bool	isConstraintsSatisfyingTrans(const RigidTrans3& trans) const ;
protected:

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Ancestors

Class does not inherit from any other class.

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Descendants

Class is not inherited by any others.

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