def __str__(self):
if not self.atoms or not self.parameters:
return ""
s = ["%5d" % i for i in self.atoms]
# For exclusions, no type is defined, which equals -1
if self.type != -1: s.append(" %5d " % self.type)
# Print integers and floats in proper format and neglect None terms
s.extend([FUNC.formatString(i) for i in self.parameters if i is not None])
if self.comments:
s.append(';')
if type(self.comments) == str:
s.append(self.comments)
else:
s.extend([str(i) for i in self.comments])
return " ".join(s)
def __str__(self):
if not self.atoms or not self.parameters:
return ""
s = ["%5d" % i for i in self.atoms]
# For exclusions, no type is defined, which equals -1
if self.type != -1: s.append(" %5d " % self.type)
# Print integers and floats in proper format and neglect None terms
s.extend(
[FUNC.formatString(i) for i in self.parameters if i is not None])
if self.comments:
s.append(';')
if type(self.comments) == str:
s.append(self.comments)
else:
s.extend([str(i) for i in self.comments])
return " ".join(s)
