diff --git a/FoldOptLib/input/data_storage.py b/FoldOptLib/input/data_storage.py index 0475b26..aaa8407 100644 --- a/FoldOptLib/input/data_storage.py +++ b/FoldOptLib/input/data_storage.py @@ -135,13 +135,9 @@ def set_axial_surface_field_constraints(self): ].to_numpy() except: mean_x, mean_y, mean_z = self.axial_normals()[["X", "Y", "Z"]].mean(0) - min_x, min_y, min_z = self.axial_normals()[["X", "Y", "Z"]].min(0) - max_x, max_y, max_z = self.axial_normals()[["X", "Y", "Z"]].max(0) value_constraints = numpy.array( [ [mean_x, mean_y, mean_z, 0.0, 1.0], - [min_x, min_y, min_z, -500., 1.0], - [max_x, max_y, max_z, 500.0, 1.0], ], dtype=float, ) @@ -166,13 +162,9 @@ def set_fold_axis_field_constraints(self): ].to_numpy() except: mean_x, mean_y, mean_z = self.y_normals()[["X", "Y", "Z"]].mean(0) - min_x, min_y, min_z = self.y_normals()[["X", "Y", "Z"]].min(0) - max_x, max_y, max_z = self.y_normals()[["X", "Y", "Z"]].max(0) value_constraints = numpy.array( [ [mean_x, mean_y, mean_z, 0.0, 1.0], - [min_x, min_y, min_z, -500., 1.0], - [max_x, max_y, max_z, 500.0, 1.0], ], dtype=float, )