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Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Returns true iff the input conformation respects the input constraints. More...
#include <Molecular_covalent_structure_constraints_for_proteins.hpp>
Public Types | |
typedef T_Molecular_covalent_structure_constraints_for_proteins< CovalentStructure, Conformation > | Self |
typedef CovalentStructure::Particle_rep | Particle_rep |
typedef CovalentStructure::Bond_rep | Bond_rep |
typedef CovalentStructure::Bond_angle_rep | Bond_angle_rep |
typedef CovalentStructure::Torsion_angle_rep | Torsion_angle_rep |
typedef Models::T_Conformation_traits< Conformation > | Conformation_traits |
typedef Conformation_traits::FT | FT |
Constructors | |
T_Molecular_covalent_structure_constraints_for_proteins (const CovalentStructure &S) | |
Functors | |
bool | operator() (const Conformation &C) const |
Parameters | |
void | add_constraint (Bond_rep b, const FT &min, const FT &max) |
void | add_constraint (Bond_angle_rep b, const FT &min, const FT &max) |
void | add_constraint (Torsion_angle_rep b, const FT &min, const FT &max) |
void | load (const std::string &file_name) |
Returns true iff the input conformation respects the input constraints.
CovalentStructure | Representation of the topology of a molecule. |
Conformation | Representation of the geometry of a molecule. |
typedef CovalentStructure::Bond_angle_rep Bond_angle_rep |
typedef CovalentStructure::Bond_rep Bond_rep |
typedef Conformation_traits::FT FT |
typedef CovalentStructure::Particle_rep Particle_rep |
typedef T_Molecular_covalent_structure_constraints_for_proteins<CovalentStructure, Conformation> Self |
typedef CovalentStructure::Torsion_angle_rep Torsion_angle_rep |
T_Molecular_covalent_structure_constraints_for_proteins | ( | const CovalentStructure & | S | ) |
void add_constraint | ( | Bond_angle_rep | b, |
const FT & | min, | ||
const FT & | max | ||
) |
void add_constraint | ( | Torsion_angle_rep | b, |
const FT & | min, | ||
const FT & | max | ||
) |
void load | ( | const std::string & | file_name | ) |
bool operator() | ( | const Conformation & | C | ) | const |