Python get_chi1_chi2示例

示例#1

文件： rotalyze.py 项目： rimmartin/cctbx_project

 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)

示例#2

文件： rotalyze.py 项目： keitaroyam/cctbx_fork

 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)