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tsoc
openmm
Commits
635e7914
Commit
635e7914
authored
Mar 30, 2020
by
Rasmus Wriedt Larsen
Browse files
Fix 'too many arguments' bug in #2616
parent
c87b96fb
Changes
1
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1 changed file
with
7 additions
and
7 deletions
+7
-7
wrappers/python/simtk/openmm/app/internal/charmm/topologyobjects.py
...ython/simtk/openmm/app/internal/charmm/topologyobjects.py
+7
-7
No files found.
wrappers/python/simtk/openmm/app/internal/charmm/topologyobjects.py
View file @
635e7914
...
...
@@ -158,7 +158,7 @@ class AtomType(object):
return
other
==
(
self
.
number
,
self
.
name
)
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
.
__eq__
(
other
)
def
set_lj_params
(
self
,
eps
,
rmin
,
eps14
=
None
,
rmin14
=
None
):
""" Sets Lennard-Jones parameters on this atom type """
...
...
@@ -990,7 +990,7 @@ class BondType(object):
return
self
.
k
==
other
.
k
and
self
.
req
==
other
.
req
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
.
__eq__
(
other
)
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
...
...
@@ -1013,7 +1013,7 @@ class AngleType(object):
return
self
.
k
==
other
.
k
and
self
.
theteq
==
other
.
theteq
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
.
__eq__
(
other
)
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
...
...
@@ -1057,7 +1057,7 @@ class DihedralType(object):
self
.
phase
==
other
.
phase
)
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
.
__eq__
(
other
)
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
...
...
@@ -1080,7 +1080,7 @@ class ImproperType(object):
return
self
.
k
==
other
.
k
and
self
.
phieq
==
other
.
phieq
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
.
__eq__
(
other
)
def
__repr__
(
self
):
return
'<ImproperType; k=%s; phieq=%s>'
%
(
self
.
k
,
self
.
phieq
)
...
...
@@ -1118,7 +1118,7 @@ class CmapType(object):
all
([
abs
(
i
-
j
)
<
TINY
for
i
,
j
in
zip
(
self
.
grid
,
other
.
grid
)]))
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
.
__eq__
(
other
)
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
...
...
@@ -1218,7 +1218,7 @@ class _CmapGrid(object):
return
TypeError
(
'Bad type comparison with _CmapGrid'
)
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
.
__eq__
(
other
)
def
switch_range
(
self
):
"""
...
...
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