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tsoc
openmm
Commits
10cc667c
Commit
10cc667c
authored
May 05, 2015
by
peastman
Browse files
Merge pull request #893 from xantares/patch-2
fix swig build
parents
3c328f39
01ae387d
Changes
1
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-14
wrappers/python/src/swig_doxygen/swig_lib/python/extend.i
wrappers/python/src/swig_doxygen/swig_lib/python/extend.i
+14
-14
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wrappers/python/src/swig_doxygen/swig_lib/python/extend.i
View file @
10cc667c
...
...
@@ -26,7 +26,7 @@
}
%
pythoncode
{
%
pythoncode
%
{
def
getState
(
self
,
getPositions
=
False
,
getVelocities
=
False
,
...
...
@@ -107,7 +107,7 @@
if
state
.
_paramMap
is
not
None
:
for
param
in
state
.
_paramMap
:
self
.
setParameter
(
param
,
state
.
_paramMap
[
param
])
}
%
}
%
feature
(
"docstring"
)
createCheckpoint
"Create a checkpoint recording the current state of the Context.
This should be treated as an opaque block of binary data. See loadCheckpoint() for more details.
...
...
@@ -175,7 +175,7 @@ Parameters:
}
%
pythoncode
{
%
pythoncode
%
{
def
getState
(
self
,
copy
,
getPositions
=
False
,
...
...
@@ -235,11 +235,11 @@ Parameters:
periodicBoxVectorsList
=
periodicBoxVectorsList
,
paramMap
=
paramMap
)
return
state
}
%
}
}
%
extend
OpenMM
::
NonbondedForce
{
%
pythoncode
{
%
pythoncode
%
{
def
addParticle_usingRVdw
(
self
,
charge
,
rVDW
,
epsilon
)
:
"""Add particle using elemetrary charge. Rvdw and epsilon,
which is consistent with AMBER parameter file usage.
...
...
@@ -260,11 +260,11 @@ Parameters:
"""
return
self
.
addException
(
particle1
,
particle2
,
chargeProd
,
rMin
/
RMIN_PER_SIGMA
,
epsilon
)
}
%
}
}
%
extend
OpenMM
::
System
{
%
pythoncode
{
%
pythoncode
%
{
def
__getstate__
(
self
)
:
serializationString
=
XmlSerializer
.
serializeSystem
(
self
)
return
serializationString
...
...
@@ -275,7 +275,7 @@ Parameters:
def
getForces
(
self
)
:
"""Get the list of Forces in this System"""
return
[
self
.
getForce
(
i
)
for
i
in
range
(
self
.
getNumForces
())]
}
%
}
}
%
extend
OpenMM
::
XmlSerializer
{
...
...
@@ -345,7 +345,7 @@ Parameters:
return
obj
;
}
%
pythoncode
{
%
pythoncode
%
{
@
staticmethod
def
_serializeState
(
pythonState
)
:
positions
=
[]
...
...
@@ -431,7 +431,7 @@ Parameters:
if
type
==
"State"
:
return
XmlSerializer
.
_deserializeState
(
inputString
)
raise
ValueError
(
"Unsupported object type"
)
}
%
}
}
%
extend
OpenMM
::
CustomIntegrator
{
...
...
@@ -443,7 +443,7 @@ Parameters:
}
%
extend
OpenMM
::
Force
{
%
pythoncode
{
%
pythoncode
%
{
def
__copy__
(
self
)
:
copy
=
self
.
__class__
.
__new__
(
self
.
__class__
)
copy
.
__init__
(
self
)
...
...
@@ -451,11 +451,11 @@ Parameters:
def
__deepcopy__
(
self
,
memo
)
:
return
self
.
__copy__
()
}
%
}
}
%
extend
OpenMM
::
Integrator
{
%
pythoncode
{
%
pythoncode
%
{
def
__getstate__
(
self
)
:
serializationString
=
XmlSerializer
.
serialize
(
self
)
return
serializationString
...
...
@@ -463,5 +463,5 @@ Parameters:
def
__setstate__
(
self
,
serializationString
)
:
system
=
XmlSerializer
.
deserialize
(
serializationString
)
self
.
this
=
system
.
this
}
%
}
}
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