c-interface-refine.hh

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void    add_initial_position_restraints(int imol, const std::vector<coot::residue_spec_t> &residue_specs, double weight);
// this removed all initial position restraints, not just those listed.
void remove_initial_position_restraints(int imol, const std::vector<coot::residue_spec_t> &residue_specs);


//         uses built-in list of of torsions for specific residue types
void use_unimodal_ring_torsion_restraints(const std::string &res_name);

#ifdef USE_PYTHON
//
//         allow user definition of torsions for given residue
//  @var{torsions_info_list} is a list of item that are of the form
//  @var{[atom_name_1, atom_name_2, atom_name_3, atom_name_4, double torsion_1234]}
void use_unimodal_ring_torsion_restraints_for_residue(const std::string &res_name, PyObject *torsions_info_list);
#endif

void set_refinement_geman_mcclure_alpha(float alpha);

float get_refinement_geman_mcclure_alpha();

void set_refinement_lennard_jones_epsilon(float epsilon);

void set_log_cosh_target_distance_scale_factor(float sf);

#ifdef USE_GUILE
void crankshaft_peptide_rotation_optimization_scm(int imol, SCM residue_spec_smc);
#endif

#ifdef USE_PYTHON
void crankshaft_peptide_rotation_optimization_py(int imol, PyObject *residue_spec_py);
#endif

void convert_dictionary_planes_to_improper_dihedrals();