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tsoc
openmm
Commits
47496e3c
Unverified
Commit
47496e3c
authored
Nov 01, 2023
by
Peter Eastman
Committed by
GitHub
Nov 01, 2023
Browse files
Fixed errors in generating Python docstrings (#4290)
parent
e8282ad5
Changes
2
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4 additions
and
4 deletions
+4
-4
openmmapi/include/openmm/CustomGBForce.h
openmmapi/include/openmm/CustomGBForce.h
+3
-3
wrappers/python/src/swig_doxygen/swigInputBuilder.py
wrappers/python/src/swig_doxygen/swigInputBuilder.py
+1
-1
No files found.
openmmapi/include/openmm/CustomGBForce.h
View file @
47496e3c
...
...
@@ -50,14 +50,14 @@ namespace OpenMM {
* It also allows tabulated functions to be defined and used with the computations. It optionally supports periodic boundary
* conditions and cutoffs for long range interactions.
*
* The computation consists of calculating some number of per-particle <
i
>computed values</
i
>, followed by one or more
* <
i
>energy terms</
i
>. A computed value is a scalar value that is computed for each particle in the system. It may
* The computation consists of calculating some number of per-particle <
b
>computed values</
b
>, followed by one or more
* <
b
>energy terms</
b
>. A computed value is a scalar value that is computed for each particle in the system. It may
* depend on an arbitrary set of global and per-particle parameters, and well as on other computed values that have
* been calculated before it. Once all computed values have been calculated, the energy terms and their derivatives
* are evaluated to determine the system energy and particle forces. The energy terms may depend on global parameters,
* per-particle parameters, and per-particle computed values.
*
* When specifying a computed value or energy term, you provide an algebraic expression to evaluate and a <
i
>computation type</
i
>
* When specifying a computed value or energy term, you provide an algebraic expression to evaluate and a <
b
>computation type</
b
>
* describing how the expression is to be evaluated. There are two main types of computations:
*
* <ul>
...
...
wrappers/python/src/swig_doxygen/swigInputBuilder.py
View file @
47496e3c
...
...
@@ -96,7 +96,7 @@ def getText(subNodePath, node):
s
=
"%s
\n\n
"
%
s
return
s
.
strip
()
OPENMM_RE_PATTERN
=
re
.
compile
(
"(.*)OpenMM:[a-zA-Z:]*:(.*)"
)
OPENMM_RE_PATTERN
=
re
.
compile
(
"(.*)OpenMM:[a-zA-Z
0-9
:]*:(.*)"
)
def
stripOpenmmPrefix
(
name
,
rePattern
=
OPENMM_RE_PATTERN
):
try
:
m
=
rePattern
.
search
(
name
)
...
...
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