Package Contents
		distance_least_squares energies flags lbfgs manager tst_angle_derivs tst_ext tst_motif tst_proxy_registry

Classes
		__builtin__.object pair_proxies proxy_registry_base angle_proxy_registry bond_simple_proxy_registry chirality_proxy_registry dihedral_proxy_registry planarity_proxy_registry proxy_registry_process_result   class angle_proxy_registry(proxy_registry_base)       Method resolution order: angle_proxy_registry proxy_registry_base __builtin__.object Methods defined here: __init__(self, strict_conflict_handling) lookup_i_proxy(self, i_seqs) See also: cctbx::geometry_restraints::angle_proxy::sort_i_seqs() process(self, source_info, proxy, tolerance=9.9999999999999995e-07) Methods inherited from proxy_registry_base: append_custom_proxy(self, proxy) discard_table(self) initialize_table(self) Data descriptors inherited from proxy_registry_base: __dict__ dictionary for instance variables (if defined) __weakref__ list of weak references to the object (if defined)   class bond_simple_proxy_registry(proxy_registry_base)       Method resolution order: bond_simple_proxy_registry proxy_registry_base __builtin__.object Methods defined here: __init__(self, n_seq, strict_conflict_handling) initialize_table(self) process(self, source_info, proxy, tolerance=9.9999999999999995e-07) Methods inherited from proxy_registry_base: append_custom_proxy(self, proxy) discard_table(self) Data descriptors inherited from proxy_registry_base: __dict__ dictionary for instance variables (if defined) __weakref__ list of weak references to the object (if defined)   class chirality_proxy_registry(proxy_registry_base)       Method resolution order: chirality_proxy_registry proxy_registry_base __builtin__.object Methods defined here: __init__(self, strict_conflict_handling) process(self, source_info, proxy, tolerance=9.9999999999999995e-07) Methods inherited from proxy_registry_base: append_custom_proxy(self, proxy) discard_table(self) initialize_table(self) Data descriptors inherited from proxy_registry_base: __dict__ dictionary for instance variables (if defined) __weakref__ list of weak references to the object (if defined)   class dihedral_proxy_registry(proxy_registry_base)       Method resolution order: dihedral_proxy_registry proxy_registry_base __builtin__.object Methods defined here: __init__(self, strict_conflict_handling) lookup_i_proxy(self, i_seqs) See also: cctbx::geometry_restraints::dihedral_proxy::sort_i_seqs() process(self, source_info, proxy, tolerance=9.9999999999999995e-07) Methods inherited from proxy_registry_base: append_custom_proxy(self, proxy) discard_table(self) initialize_table(self) Data descriptors inherited from proxy_registry_base: __dict__ dictionary for instance variables (if defined) __weakref__ list of weak references to the object (if defined)   class pair_proxies(__builtin__.object)       Methods defined here: __init__(self, flags=None, bond_params_table=None, shell_asu_tables=None, model_indices=None, conformer_indices=None, nonbonded_params=None, nonbonded_types=None, nonbonded_distance_cutoff_plus_buffer=None, min_cubicle_edge=5) Data descriptors defined here: __dict__ dictionary for instance variables (if defined) __weakref__ list of weak references to the object (if defined)   class planarity_proxy_registry(proxy_registry_base)       Method resolution order: planarity_proxy_registry proxy_registry_base __builtin__.object Methods defined here: __init__(self, strict_conflict_handling) process(self, source_info, proxy, tolerance=9.9999999999999995e-07) Methods inherited from proxy_registry_base: append_custom_proxy(self, proxy) discard_table(self) initialize_table(self) Data descriptors inherited from proxy_registry_base: __dict__ dictionary for instance variables (if defined) __weakref__ list of weak references to the object (if defined)   class proxy_registry_base(__builtin__.object)       Methods defined here: __init__(self, proxies, strict_conflict_handling) append_custom_proxy(self, proxy) discard_table(self) initialize_table(self) Data descriptors defined here: __dict__ dictionary for instance variables (if defined) __weakref__ list of weak references to the object (if defined)   class proxy_registry_process_result(__builtin__.object)       Methods defined here: __init__(self, tabulated_proxy=None, is_new=False, is_conflicting=False, conflict_source_labels=None) Data descriptors defined here: __dict__ dictionary for instance variables (if defined) __weakref__ list of weak references to the object (if defined)

Functions
		add_pairs(...) add_pairs( (pair_asu_table)pair_asu_table, (shared_bond_simple_proxy)bond_simple_proxies) -> None :       C++ signature :         void add_pairs(cctbx::crystal::pair_asu_table<double, int> {lvalue},scitbx::af::const_ref<cctbx::geometry_restraints::bond_simple_proxy, scitbx::af::trivial_accessor>) angle_delta_deg(angle_1, angle_2, periodicity=1) angle_deltas(...) angle_deltas( (vec3_double)sites_cart, (shared_angle_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> angle_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::angle_proxy, scitbx::af::trivial_accessor>)   angle_deltas( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_angle_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> angle_deltas(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::angle_proxy, scitbx::af::trivial_accessor>) angle_residual_sum(...) angle_residual_sum( (vec3_double)sites_cart, (shared_angle_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double angle_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::angle_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>)   angle_residual_sum( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_angle_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double angle_residual_sum(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::angle_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>) angle_residuals(...) angle_residuals( (vec3_double)sites_cart, (shared_angle_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> angle_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::angle_proxy, scitbx::af::trivial_accessor>)   angle_residuals( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_angle_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> angle_residuals(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::angle_proxy, scitbx::af::trivial_accessor>) bond_deltas(...) bond_deltas( (vec3_double)sites_cart, (shared_bond_simple_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_simple_proxy, scitbx::af::trivial_accessor>)   bond_deltas( (vec3_double)sites_cart, (bond_sorted_asu_proxies_base)sorted_asu_proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::bond_simple_proxy, cctbx::geometry_restraints::bond_asu_proxy>) bond_distances_model(...) bond_distances_model( (vec3_double)sites_cart, (shared_bond_simple_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_distances_model(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_simple_proxy, scitbx::af::trivial_accessor>)   bond_distances_model( (vec3_double)sites_cart, (bond_sorted_asu_proxies_base)sorted_asu_proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_distances_model(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::bond_simple_proxy, cctbx::geometry_restraints::bond_asu_proxy>) bond_residual_sum(...) bond_residual_sum( (vec3_double)sites_cart, (shared_bond_simple_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double bond_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_simple_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>)   bond_residual_sum( (vec3_double)sites_cart, (bond_sorted_asu_proxies_base)sorted_asu_proxies, (vec3_double)gradient_array [, (bool)disable_cache=False]) -> float :       C++ signature :         double bond_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::bond_simple_proxy, cctbx::geometry_restraints::bond_asu_proxy>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor> [,bool=False]) bond_residuals(...) bond_residuals( (vec3_double)sites_cart, (shared_bond_simple_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_simple_proxy, scitbx::af::trivial_accessor>)   bond_residuals( (vec3_double)sites_cart, (bond_sorted_asu_proxies_base)sorted_asu_proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::bond_simple_proxy, cctbx::geometry_restraints::bond_asu_proxy>) bond_similarity_deltas_rms(...) bond_similarity_deltas_rms( (vec3_double)sites_cart, (shared_bond_similarity_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_similarity_deltas_rms(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_similarity_proxy, scitbx::af::trivial_accessor>)   bond_similarity_deltas_rms( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_bond_similarity_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_similarity_deltas_rms(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_similarity_proxy, scitbx::af::trivial_accessor>) bond_similarity_residual_sum(...) bond_similarity_residual_sum( (vec3_double)sites_cart, (shared_bond_similarity_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double bond_similarity_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_similarity_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>)   bond_similarity_residual_sum( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_bond_similarity_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double bond_similarity_residual_sum(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_similarity_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>) bond_similarity_residuals(...) bond_similarity_residuals( (vec3_double)sites_cart, (shared_bond_similarity_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_similarity_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_similarity_proxy, scitbx::af::trivial_accessor>)   bond_similarity_residuals( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_bond_similarity_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> bond_similarity_residuals(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::bond_similarity_proxy, scitbx::af::trivial_accessor>) chirality_deltas(...) chirality_deltas( (vec3_double)sites_cart, (shared_chirality_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> chirality_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::chirality_proxy, scitbx::af::trivial_accessor>) chirality_residual_sum(...) chirality_residual_sum( (vec3_double)sites_cart, (shared_chirality_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double chirality_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::chirality_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>) chirality_residuals(...) chirality_residuals( (vec3_double)sites_cart, (shared_chirality_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> chirality_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::chirality_proxy, scitbx::af::trivial_accessor>) dihedral_deltas(...) dihedral_deltas( (vec3_double)sites_cart, (shared_dihedral_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> dihedral_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::dihedral_proxy, scitbx::af::trivial_accessor>)   dihedral_deltas( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_dihedral_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> dihedral_deltas(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::dihedral_proxy, scitbx::af::trivial_accessor>) dihedral_residual_sum(...) dihedral_residual_sum( (vec3_double)sites_cart, (shared_dihedral_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double dihedral_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::dihedral_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>)   dihedral_residual_sum( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_dihedral_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double dihedral_residual_sum(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::dihedral_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>) dihedral_residuals(...) dihedral_residuals( (vec3_double)sites_cart, (shared_dihedral_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> dihedral_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::dihedral_proxy, scitbx::af::trivial_accessor>)   dihedral_residuals( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_dihedral_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> dihedral_residuals(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::dihedral_proxy, scitbx::af::trivial_accessor>) extract_bond_params(...) extract_bond_params( (int)n_seq, (shared_bond_simple_proxy)bond_simple_proxies) -> bond_params_table :       C++ signature :         scitbx::af::shared<std::map<unsigned int, cctbx::geometry_restraints::bond_params, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, cctbx::geometry_restraints::bond_params> > > > extract_bond_params(unsigned long,scitbx::af::const_ref<cctbx::geometry_restraints::bond_simple_proxy, scitbx::af::trivial_accessor>) nonbonded_deltas(...) nonbonded_deltas( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>)   nonbonded_deltas( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>)   nonbonded_deltas( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>)   nonbonded_deltas( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>)   nonbonded_deltas( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>)   nonbonded_deltas( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>)   nonbonded_deltas( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>)   nonbonded_deltas( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_deltas(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>) nonbonded_residual_sum(...) nonbonded_residual_sum( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies, (vec3_double)gradient_array, (prolsq_repulsion_function)function) -> float :       C++ signature :         double nonbonded_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::prolsq_repulsion_function)   nonbonded_residual_sum( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies, (vec3_double)gradient_array, (prolsq_repulsion_function)function [, (bool)disable_cache=False]) -> float :       C++ signature :         double nonbonded_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::prolsq_repulsion_function [,bool=False])   nonbonded_residual_sum( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies, (vec3_double)gradient_array, (inverse_power_repulsion_function)function) -> float :       C++ signature :         double nonbonded_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::inverse_power_repulsion_function)   nonbonded_residual_sum( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies, (vec3_double)gradient_array, (inverse_power_repulsion_function)function [, (bool)disable_cache=False]) -> float :       C++ signature :         double nonbonded_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::inverse_power_repulsion_function [,bool=False])   nonbonded_residual_sum( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies, (vec3_double)gradient_array, (cos_repulsion_function)function) -> float :       C++ signature :         double nonbonded_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::cos_repulsion_function)   nonbonded_residual_sum( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies, (vec3_double)gradient_array, (cos_repulsion_function)function [, (bool)disable_cache=False]) -> float :       C++ signature :         double nonbonded_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::cos_repulsion_function [,bool=False])   nonbonded_residual_sum( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies, (vec3_double)gradient_array, (gaussian_repulsion_function)function) -> float :       C++ signature :         double nonbonded_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::gaussian_repulsion_function)   nonbonded_residual_sum( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies, (vec3_double)gradient_array, (gaussian_repulsion_function)function [, (bool)disable_cache=False]) -> float :       C++ signature :         double nonbonded_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::gaussian_repulsion_function [,bool=False]) nonbonded_residuals(...) nonbonded_residuals( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies, (prolsq_repulsion_function)function) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::prolsq_repulsion_function)   nonbonded_residuals( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies, (prolsq_repulsion_function)function) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>,cctbx::geometry_restraints::prolsq_repulsion_function)   nonbonded_residuals( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies, (inverse_power_repulsion_function)function) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::inverse_power_repulsion_function)   nonbonded_residuals( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies, (inverse_power_repulsion_function)function) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>,cctbx::geometry_restraints::inverse_power_repulsion_function)   nonbonded_residuals( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies, (cos_repulsion_function)function) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::cos_repulsion_function)   nonbonded_residuals( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies, (cos_repulsion_function)function) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>,cctbx::geometry_restraints::cos_repulsion_function)   nonbonded_residuals( (vec3_double)sites_cart, (shared_nonbonded_simple_proxy)proxies, (gaussian_repulsion_function)function) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::nonbonded_simple_proxy, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::gaussian_repulsion_function)   nonbonded_residuals( (vec3_double)sites_cart, (nonbonded_sorted_asu_proxies_base)sorted_asu_proxies, (gaussian_repulsion_function)function) -> double :       C++ signature :         scitbx::af::shared<double> nonbonded_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::geometry_restraints::sorted_asu_proxies<cctbx::geometry_restraints::nonbonded_simple_proxy, cctbx::geometry_restraints::nonbonded_asu_proxy>,cctbx::geometry_restraints::gaussian_repulsion_function) planarity_deltas_rms(...) planarity_deltas_rms( (vec3_double)sites_cart, (shared_planarity_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> planarity_deltas_rms(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::planarity_proxy, scitbx::af::trivial_accessor>)   planarity_deltas_rms( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_planarity_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> planarity_deltas_rms(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::planarity_proxy, scitbx::af::trivial_accessor>) planarity_residual_sum(...) planarity_residual_sum( (vec3_double)sites_cart, (shared_planarity_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double planarity_residual_sum(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::planarity_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>)   planarity_residual_sum( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_planarity_proxy)proxies, (vec3_double)gradient_array) -> float :       C++ signature :         double planarity_residual_sum(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::planarity_proxy, scitbx::af::trivial_accessor>,scitbx::af::ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>) planarity_residuals(...) planarity_residuals( (vec3_double)sites_cart, (shared_planarity_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> planarity_residuals(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::planarity_proxy, scitbx::af::trivial_accessor>)   planarity_residuals( (unit_cell)unit_cell, (vec3_double)sites_cart, (shared_planarity_proxy)proxies) -> double :       C++ signature :         scitbx::af::shared<double> planarity_residuals(cctbx::uctbx::unit_cell,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<cctbx::geometry_restraints::planarity_proxy, scitbx::af::trivial_accessor>) sigma_as_weight(sigma) weight_as_sigma(weight)