Commit 4620cd7c authored by John Chodera (MSKCC)'s avatar John Chodera (MSKCC)
Browse files

Clean up comments in TestForceField.py.

parent 6155bdad
......@@ -260,19 +260,9 @@ class TestForceField(unittest.TestCase):
# Generate a unique prefix name for generating parameters.
from uuid import uuid4
template_name = uuid4()
# Generate an atom type for each atom.
#for atom in residue.atoms():
# parameters = {
# 'name' : '%s-%s-%s' % (template_name, residue.name, atom.name),
# 'class' : 'XXX',
# 'mass' : atom.element._mass,
# 'element' : atom.element
# }
# forcefield.registerAtomType(parameters)
# Create residue template.
template = ForceField._TemplateData(template_name)
for atom in residue.atoms():
#typename = '%s-%s-%s' % (template_name, residue.name, atom.name)
typename = 'XXX'
atom_template = ForceField._TemplateAtomData(atom.name, typename, atom.element)
template.atoms.append(atom_template)
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment