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tsoc
openmm
Commits
9e75b226
Unverified
Commit
9e75b226
authored
Mar 30, 2020
by
peastman
Committed by
GitHub
Mar 30, 2020
Browse files
Merge pull request #2620 from RasmusWL/fixup-2616
Fix bug in __ne__ implementation from #2616
parents
c87b96fb
c8bd6392
Changes
3
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3 changed files
with
9 additions
and
9 deletions
+9
-9
wrappers/python/simtk/openmm/app/internal/charmm/topologyobjects.py
...ython/simtk/openmm/app/internal/charmm/topologyobjects.py
+7
-7
wrappers/python/simtk/unit/quantity.py
wrappers/python/simtk/unit/quantity.py
+1
-1
wrappers/python/simtk/unit/unit.py
wrappers/python/simtk/unit/unit.py
+1
-1
No files found.
wrappers/python/simtk/openmm/app/internal/charmm/topologyobjects.py
View file @
9e75b226
...
@@ -158,7 +158,7 @@ class AtomType(object):
...
@@ -158,7 +158,7 @@ class AtomType(object):
return
other
==
(
self
.
number
,
self
.
name
)
return
other
==
(
self
.
number
,
self
.
name
)
def
__ne__
(
self
,
other
):
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
==
other
def
set_lj_params
(
self
,
eps
,
rmin
,
eps14
=
None
,
rmin14
=
None
):
def
set_lj_params
(
self
,
eps
,
rmin
,
eps14
=
None
,
rmin14
=
None
):
""" Sets Lennard-Jones parameters on this atom type """
""" Sets Lennard-Jones parameters on this atom type """
...
@@ -990,7 +990,7 @@ class BondType(object):
...
@@ -990,7 +990,7 @@ class BondType(object):
return
self
.
k
==
other
.
k
and
self
.
req
==
other
.
req
return
self
.
k
==
other
.
k
and
self
.
req
==
other
.
req
def
__ne__
(
self
,
other
):
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
==
other
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
...
@@ -1013,7 +1013,7 @@ class AngleType(object):
...
@@ -1013,7 +1013,7 @@ class AngleType(object):
return
self
.
k
==
other
.
k
and
self
.
theteq
==
other
.
theteq
return
self
.
k
==
other
.
k
and
self
.
theteq
==
other
.
theteq
def
__ne__
(
self
,
other
):
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
==
other
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
...
@@ -1057,7 +1057,7 @@ class DihedralType(object):
...
@@ -1057,7 +1057,7 @@ class DihedralType(object):
self
.
phase
==
other
.
phase
)
self
.
phase
==
other
.
phase
)
def
__ne__
(
self
,
other
):
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
==
other
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
...
@@ -1080,7 +1080,7 @@ class ImproperType(object):
...
@@ -1080,7 +1080,7 @@ class ImproperType(object):
return
self
.
k
==
other
.
k
and
self
.
phieq
==
other
.
phieq
return
self
.
k
==
other
.
k
and
self
.
phieq
==
other
.
phieq
def
__ne__
(
self
,
other
):
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
==
other
def
__repr__
(
self
):
def
__repr__
(
self
):
return
'<ImproperType; k=%s; phieq=%s>'
%
(
self
.
k
,
self
.
phieq
)
return
'<ImproperType; k=%s; phieq=%s>'
%
(
self
.
k
,
self
.
phieq
)
...
@@ -1118,7 +1118,7 @@ class CmapType(object):
...
@@ -1118,7 +1118,7 @@ class CmapType(object):
all
([
abs
(
i
-
j
)
<
TINY
for
i
,
j
in
zip
(
self
.
grid
,
other
.
grid
)]))
all
([
abs
(
i
-
j
)
<
TINY
for
i
,
j
in
zip
(
self
.
grid
,
other
.
grid
)]))
def
__ne__
(
self
,
other
):
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
==
other
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
# ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
...
@@ -1218,7 +1218,7 @@ class _CmapGrid(object):
...
@@ -1218,7 +1218,7 @@ class _CmapGrid(object):
return
TypeError
(
'Bad type comparison with _CmapGrid'
)
return
TypeError
(
'Bad type comparison with _CmapGrid'
)
def
__ne__
(
self
,
other
):
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
self
,
other
)
return
not
self
==
other
def
switch_range
(
self
):
def
switch_range
(
self
):
"""
"""
...
...
wrappers/python/simtk/unit/quantity.py
View file @
9e75b226
...
@@ -267,7 +267,7 @@ class Quantity(object):
...
@@ -267,7 +267,7 @@ class Quantity(object):
def
__ne__
(
self
,
other
):
def
__ne__
(
self
,
other
):
"""
"""
"""
"""
return
not
self
.
__eq__
(
other
)
return
not
self
==
other
def
__lt__
(
self
,
other
):
def
__lt__
(
self
,
other
):
"""Compares two quantities.
"""Compares two quantities.
...
...
wrappers/python/simtk/unit/unit.py
View file @
9e75b226
...
@@ -179,7 +179,7 @@ class Unit(object):
...
@@ -179,7 +179,7 @@ class Unit(object):
return
self
.
get_name
()
==
other
.
get_name
()
return
self
.
get_name
()
==
other
.
get_name
()
def
__ne__
(
self
,
other
):
def
__ne__
(
self
,
other
):
return
not
self
.
__eq__
(
other
)
return
not
self
==
other
def
__lt__
(
self
,
other
):
def
__lt__
(
self
,
other
):
"""Compare two Units.
"""Compare two Units.
...
...
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