Commit d2bf2685 authored by Peter Eastman's avatar Peter Eastman
Browse files

C and Fortran wrappers support groups argument to getState()

parent b768ff4a
......@@ -397,6 +397,7 @@ extern OPENMM_EXPORT void %(name)s_insert(%(name)s* set, %(type)s value);""" % v
/* These methods need to be handled specially, since their C++ APIs cannot be directly translated to C.
Unlike the C++ versions, the return value is allocated on the heap, and you must delete it yourself. */
extern OPENMM_EXPORT OpenMM_State* OpenMM_Context_getState(const OpenMM_Context* target, int types, int enforcePeriodicBox);
extern OPENMM_EXPORT OpenMM_State* OpenMM_Context_getState_2(const OpenMM_Context* target, int types, int enforcePeriodicBox, int groups);
extern OPENMM_EXPORT OpenMM_StringArray* OpenMM_Platform_loadPluginsFromDirectory(const char* directory);
extern OPENMM_EXPORT OpenMM_StringArray* OpenMM_Platform_getPluginLoadFailures();
extern OPENMM_EXPORT char* OpenMM_XmlSerializer_serializeSystem(const OpenMM_System* system);
......@@ -801,6 +802,10 @@ OPENMM_EXPORT OpenMM_State* OpenMM_Context_getState(const OpenMM_Context* target
State result = reinterpret_cast<const Context*>(target)->getState(types, enforcePeriodicBox);
return reinterpret_cast<OpenMM_State*>(new State(result));
}
OPENMM_EXPORT OpenMM_State* OpenMM_Context_getState_2(const OpenMM_Context* target, int types, int enforcePeriodicBox, int groups) {
State result = reinterpret_cast<const Context*>(target)->getState(types, enforcePeriodicBox, groups);
return reinterpret_cast<OpenMM_State*>(new State(result));
}
OPENMM_EXPORT OpenMM_StringArray* OpenMM_Platform_loadPluginsFromDirectory(const char* directory) {
vector<string> result = Platform::loadPluginsFromDirectory(string(directory));
return reinterpret_cast<OpenMM_StringArray*>(new vector<string>(result));
......@@ -1314,6 +1319,14 @@ MODULE OpenMM
integer*4 enforcePeriodicBox
type(OpenMM_State) result
end subroutine
subroutine OpenMM_Context_getState_2(target, types, enforcePeriodicBox, groups, result)
use OpenMM_Types; implicit none
type (OpenMM_Context) target
integer*4 types
integer*4 enforcePeriodicBox
integer*4 groups
type(OpenMM_State) result
end subroutine
subroutine OpenMM_Platform_loadPluginsFromDirectory(directory, result)
use OpenMM_Types; implicit none
character(*) directory
......@@ -1991,6 +2004,12 @@ OPENMM_EXPORT void openmm_context_getstate_(const OpenMM_Context*& target, int c
OPENMM_EXPORT void OPENMM_CONTEXT_GETSTATE(const OpenMM_Context*& target, int const& types, int const& enforcePeriodicBox, OpenMM_State*& result) {
result = OpenMM_Context_getState(target, types, enforcePeriodicBox);
}
OPENMM_EXPORT void openmm_context_getstate_2_(const OpenMM_Context*& target, int const& types, int const& enforcePeriodicBox, int const& groups, OpenMM_State*& result) {
result = OpenMM_Context_getState_2(target, types, enforcePeriodicBox, groups);
}
OPENMM_EXPORT void OPENMM_CONTEXT_GETSTATE_2(const OpenMM_Context*& target, int const& types, int const& enforcePeriodicBox, int const& groups, OpenMM_State*& result) {
result = OpenMM_Context_getState_2(target, types, enforcePeriodicBox, groups);
}
OPENMM_EXPORT void openmm_platform_loadpluginsfromdirectory_(const char* directory, OpenMM_StringArray*& result, int length) {
result = OpenMM_Platform_loadPluginsFromDirectory(makeString(directory, length).c_str());
}
......
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