def _Zmat_to_atoms_list(self):
Zmat_text = self._read_zmat(self.bytedict['Z-mat'][0][0])
atoms_list = []
for line in Zmat_text:
atoms_list.append(iolines.zmat2atom(line))
return atoms_list
def _Zmat_to_atoms_list(self):
Zmat_text = self._read_zmat(self.bytedict['Z-mat'][0][0])
atoms_list = []
for line in Zmat_text:
atoms_list.append(iolines.zmat2atom(line))
return atoms_list
def _read_structure(self):
""" Return a list of atoms"""
#for line in self.lines[self.blank_lines[1]+2:self.blank_lines[2]]:
# atoms_list.append(iolines.zmat2atom(line))
self.atoms_list = [] #ob.OBMol()
for line in self.lines[self.blank_lines[1] + 2:self.blank_lines[2]]:
self.atoms_list.append(iolines.zmat2atom(line))
def _read_structure(self):
""" Return a list of atoms"""
#for line in self.lines[self.blank_lines[1]+2:self.blank_lines[2]]:
# atoms_list.append(iolines.zmat2atom(line))
self.atoms_list = [] #ob.OBMol()
for line in self.lines[self.blank_lines[1]+2:self.blank_lines[2]]:
self.atoms_list.append(iolines.zmat2atom(line))