def map_cc(self, other_map, sites_cart=None, atom_radius=2, per_atom=False): self.assert_pdb_hierarchy_xray_structure_sync() from mmtbx.maps import correlation if (sites_cart is not None): if (per_atom): result = correlation.from_map_map_atoms_per_atom( map_1=other_map, map_2=self.target_map_object.map_data, sites_cart=sites_cart, unit_cell=self.xray_structure.unit_cell(), radius=atom_radius) else: result = correlation.from_map_map_atoms( map_1=other_map, map_2=self.target_map_object.map_data, sites_cart=sites_cart, unit_cell=self.xray_structure.unit_cell(), radius=atom_radius) else: result = correlation.from_map_map( map_1=other_map, map_2=self.target_map_object.map_data) return result
def map_cc(self, other_map, sites_cart=None, atom_radius=2, per_atom=False): self.assert_pdb_hierarchy_xray_structure_sync() from mmtbx.maps import correlation if(sites_cart is not None): if(per_atom): result = correlation.from_map_map_atoms_per_atom( map_1 = other_map, map_2 = self.target_map_object.map_data, sites_cart = sites_cart, unit_cell = self.xray_structure.unit_cell(), radius = atom_radius) else: result = correlation.from_map_map_atoms( map_1 = other_map, map_2 = self.target_map_object.map_data, sites_cart = sites_cart, unit_cell = self.xray_structure.unit_cell(), radius = atom_radius) else: result = correlation.from_map_map( map_1 = other_map, map_2 = self.target_map_object.map_data) return result
def compute(self, xyz): return correlation.from_map_map_atoms(map_1=self.map1, map_2=self.map2, sites_cart=xyz, unit_cell=self.unit_cell, radius=self.radius)