def trappeua_O_est(atom):
for neighbor in atom.bond_partners:
if check_atom(neighbor, 'C2_est'):
return True
return False
def opls_279(atom):
"""AA H-alpha in aldehyde & formamide """
return check_atom(atom.bond_partners[0], [232, 277])
def opls_1007(atom):
"""Silica surface hydroxyl oxygen """
for neighbor in atom.bond_partners:
if check_atom(neighbor, [1002,1003,1009,1010,1012]):
return True
def opls_144(atom):
"""alkene H (H-C=) """
# Make sure that the carbon is an alkene carbon.
rule_ids = [141, 142, 143]
return check_atom(atom.bond_partners[0], rule_ids)
def opls_185(atom):
"""H(COR): alpha H ether """
rule_ids = [181, 182, 183]
return check_atom(atom.bond_partners[0], rule_ids)
def opls_279(atom):
"""AA H-alpha in aldehyde & formamide """
# TODO: 232 needs to blacklist 277
return check_atom(atom.neighbors[0], [232, 277])
def opls_185(atom):
"""H(COR): alpha H ether """
rule_ids = [181, 182, 183, 184]
return check_atom(atom.neighbors[0], rule_ids)
def opls_144(atom):
"""alkene H (H-C=) """
# Make sure that the carbon is an alkene carbon.
rule_ids = [141, 142, 143]
return check_atom(atom.neighbors[0], rule_ids)
def opls_279(atom):
"""AA H-alpha in aldehyde & formamide """
# TODO: 232 needs to blacklist 277
return check_atom(atom.neighbors[0], [232, 277])
def opls_185(atom):
"""H(COR): alpha H ether """
rule_ids = [181, 182, 183, 184]
return check_atom(atom.neighbors[0], rule_ids)
