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Commit 4677a8d

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Nora Khalilrwest
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cleaning up print statements
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rmgpy/molecule/group.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1577,7 +1577,7 @@ def get_extensions(self, r=None, r_bonds=None, r_un=None, basename='', atm_ind=N
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"""
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cython.declare(atoms=list, atm=GroupAtom, atm2=GroupAtom, bd=GroupBond, i=int, j=int,
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extents=list, RnH=list, typ=list)
1580-
print('im in')
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extents = []
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if r_bonds is None:
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r_bonds = [1, 1.5, 2, 3, 4]
@@ -1690,7 +1690,6 @@ def get_extensions(self, r=None, r_bonds=None, r_un=None, basename='', atm_ind=N
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elif typ[0].label == 'R!H':
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extents.extend(self.specify_atom_extensions(i, basename, list(set(atm.reg_dim_atm[0]) & set(r))))
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else:
1693-
print(set(typ), set(atm.reg_dim_atm[0]), list(set(typ) & set(atm.reg_dim_atm[0])))
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extents.extend(self.specify_atom_extensions(i, basename, list(set(typ) & set(atm.reg_dim_atm[0]))))
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if atm.reg_dim_u == []:
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if len(atm.radical_electrons) != 1:
@@ -1762,6 +1761,7 @@ def specify_atom_extensions(self, i, basename, r):
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#generate an extension without node splitting
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if len(self.atoms[i].atomtype)>len(Rset):
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print('generating a non-splitting extension')
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if all(r in self.atoms[i].atomtype for r in Rset):
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#that means even if we update the atomtype of the atom to the Rset, it will still be a specification
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grp = deepcopy(self)

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