def get_plot_data(self, residue_name, point_type): assert (point_type in ["All", "None", "Outlier"]) points = [] coords = [] for i, residue in enumerate(self.results): if (residue.resname == residue_name): if ((point_type == "All") or (residue.is_outlier())): chi1, chi2 = residue.get_chi1_chi2() points.append((chi1, chi2, residue.simple_id(), residue.is_outlier())) coords.append(residue.xyz) return (points, coords)
def get_plot_data(self, residue_name, point_type): assert point_type in ["All", "None", "Outlier"] points = [] coords = [] for i, residue in enumerate(self.results): if residue.resname == residue_name: if (point_type == "All") or (residue.is_outlier()): chi1, chi2 = residue.get_chi1_chi2() points.append((chi1, chi2, residue.simple_id(), residue.is_outlier())) coords.append(residue.xyz) return (points, coords)
def get_plot_data (self, position_type=RAMA_GENERAL, residue_name="*", point_type=RAMALYZE_ANY) : assert isinstance(position_type, int) and (0 <= position_type <= 5), \ position_type points, coords = [], [] for i, residue in enumerate(self.results) : if ((residue.res_type == position_type) and ((residue_name == '*') or (residue_name == residue.resname))) : if ((point_type == RAMALYZE_ANY) or (point_type == residue.rama_type) or ((residue.rama_type in [RAMALYZE_ALLOWED,RAMALYZE_OUTLIER]) and (point_type == RAMALYZE_NOT_FAVORED))) : points.append((residue.phi, residue.psi, residue.simple_id(), residue.is_outlier())) coords.append(residue.xyz) return (points, coords)