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Commit ec5d89d2 authored by peastman's avatar peastman
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Bug fixes to Fortran wrappers

parent 588a4c9d
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Showing with 74 additions and 12 deletions
examples/HelloArgonInFortran.f90
View file @ ec5d89d2
......@@ -11,6 +11,8 @@
! other visualization tool to produce an animation of the resulting trajectory.
! -----------------------------------------------------------------------------
INCLUDE 'OpenMMFortranModule.f90'
PROGRAM HelloArgon
use OpenMM; implicit none
type(OpenMM_System) system
......
examples/HelloSodiumChlorideInFortran.f90
View file @ ec5d89d2
......@@ -17,6 +17,8 @@
! interface module.
! ------------------------------------------------------------------------------
INCLUDE 'OpenMMFortranModule.f90'
!-------------------------------------------------------------------------------
! ATOM, FORCE FIELD, AND SIMULATION PARAMETERS
!-------------------------------------------------------------------------------
......
examples/Makefile
View file @ ec5d89d2
......@@ -56,11 +56,11 @@ HelloSodiumChlorideInC: HelloSodiumChlorideInC.c
HelloArgonInFortran: HelloArgonInFortran.f90 openmm.mod
gfortran $(FFLAGS) HelloArgonInFortran.f90 \
-L$(LIB_DIR) $(LIBS) $(FCPPLIBS) -o HelloArgonInFortran
-I$(INCLUDE_DIR) -L$(LIB_DIR) $(LIBS) $(FCPPLIBS) -o HelloArgonInFortran
HelloSodiumChlorideInFortran: HelloSodiumChlorideInFortran.f90 openmm.mod
gfortran $(FFLAGS) HelloSodiumChlorideInFortran.f90 \
-L$(LIB_DIR) $(LIBS) $(FCPPLIBS) -o HelloSodiumChlorideInFortran
-I$(INCLUDE_DIR) -L$(LIB_DIR) $(LIBS) $(FCPPLIBS) -o HelloSodiumChlorideInFortran
# Build Fortran 95 Module file
......
wrappers/generateWrappers.py
View file @ ec5d89d2
......@@ -869,7 +869,7 @@ class FortranHeaderGenerator(WrapperGenerator):
iDef = getText("initializer", memberNode)
if iDef.startswith("="):
iDef = iDef[1:]
self.out.write(" real*8, parameter :: %s = %s\n" % (vDef, iDef))
self.out.write(" real*8, parameter :: OpenMM_%s = %s\n" % (vDef, iDef))
def writeTypeDeclarations(self):
self.out.write("\n ! Type Declarations\n")
......@@ -1306,19 +1306,19 @@ MODULE OpenMM
character(*) directory
type(OpenMM_StringArray) result
end subroutine
subroutine OpenMM_XmlSerializer_serializeSystem(system, result, result_length)
subroutine OpenMM_XmlSerializer_serializeSystemToC(system, result, result_length)
use iso_c_binding; use OpenMM_Types; implicit none
type(OpenMM_System), intent(in) :: system
type(c_ptr), intent(out) :: result
integer, intent(out) :: result_length
end subroutine
subroutine OpenMM_XmlSerializer_serializeState(state, result, result_length)
subroutine OpenMM_XmlSerializer_serializeStateToC(state, result, result_length)
use iso_c_binding; use OpenMM_Types; implicit none
type(OpenMM_State), intent(in) :: state
type(c_ptr), intent(out) :: result
integer, intent(out) :: result_length
end subroutine
subroutine OpenMM_XmlSerializer_serializeIntegrator(integrator, result, result_length)
subroutine OpenMM_XmlSerializer_serializeIntegratorToC(integrator, result, result_length)
use iso_c_binding; use OpenMM_Types; implicit none
type(OpenMM_Integrator), intent(in) :: integrator
type(c_ptr), intent(out) :: result
......@@ -1344,6 +1344,63 @@ MODULE OpenMM
print >>self.out, """
end interface
contains
subroutine OpenMM_XmlSerializer_serializeSystem(system, result)
use iso_c_binding, only: c_ptr, c_int, c_char, c_f_pointer
type(OpenMM_System), intent(in) :: system
character(len=1), allocatable, dimension(:), intent(out) :: result
character(kind=c_char), pointer, dimension(:) :: fstr
type(c_ptr) :: cstr
integer :: i
integer(kind=c_int) :: result_length
call OpenMM_XmlSerializer_serializeSystemToC(system, cstr, result_length)
call c_f_pointer(cstr, fstr, [ result_length ])
allocate(character(len=1) :: result(result_length))
do i=1,result_length
result(i) = fstr(i)
end do
end subroutine
subroutine OpenMM_XmlSerializer_serializeState(state, result)
use iso_c_binding, only: c_ptr, c_int, c_char, c_f_pointer
type(OpenMM_State), intent(in) :: state
character(len=1), allocatable, dimension(:), intent(out) :: result
character(kind=c_char), pointer, dimension(:) :: fstr
type(c_ptr) :: cstr
integer :: i
integer(kind=c_int) :: result_length
call OpenMM_XmlSerializer_serializeStateToC(state, cstr, result_length)
call c_f_pointer(cstr, fstr, [ result_length ])
allocate(character(len=1) :: result(result_length))
do i=1,result_length
result(i) = fstr(i)
end do
end subroutine
subroutine OpenMM_XmlSerializer_serializeIntegrator(integrator, result)
use iso_c_binding, only: c_ptr, c_int, c_char, c_f_pointer
type(OpenMM_Integrator), intent(in) :: integrator
character(len=1), allocatable, dimension(:), intent(out) :: result
character(kind=c_char), pointer, dimension(:) :: fstr
type(c_ptr) :: cstr
integer :: i
integer(kind=c_int) :: result_length
call OpenMM_XmlSerializer_serializeIntegratorToC(integrator, cstr, result_length)
call c_f_pointer(cstr, fstr, [ result_length ])
allocate(character(len=1) :: result(result_length))
do i=1,result_length
result(i) = fstr(i)
end do
end subroutine
END MODULE OpenMM"""
......@@ -1618,6 +1675,7 @@ class FortranSourceGenerator(WrapperGenerator):
#include "OpenMMCWrapper.h"
#include <cstring>
#include <vector>
#include <cstdlib>
using namespace OpenMM;
using namespace std;
......@@ -1920,22 +1978,22 @@ OPENMM_EXPORT void openmm_platform_loadpluginsfromdirectory_(const char* directo
OPENMM_EXPORT void OPENMM_PLATFORM_LOADPLUGINSFROMDIRECTORY(const char* directory, OpenMM_StringArray*& result, int length) {
result = OpenMM_Platform_loadPluginsFromDirectory(makeString(directory, length).c_str());
}
OPENMM_EXPORT void openmm_xmlserializer_serializesystem_(OpenMM_System*& system, char*& result, int& result_length) {
OPENMM_EXPORT void openmm_xmlserializer_serializesystemtoc_(OpenMM_System*& system, char*& result, int& result_length) {
convertStringToChars(OpenMM_XmlSerializer_serializeSystem(system), result, result_length);
}
OPENMM_EXPORT void OPENMM_XMLSERIALIZER_SERIALIZESYSTEM(OpenMM_System*& system, char*& result, int& result_length) {
OPENMM_EXPORT void OPENMM_XMLSERIALIZER_SERIALIZESYSTEMTOC(OpenMM_System*& system, char*& result, int& result_length) {
convertStringToChars(OpenMM_XmlSerializer_serializeSystem(system), result, result_length);
}
OPENMM_EXPORT void openmm_xmlserializer_serializestate_(OpenMM_State*& state, char*& result, int& result_length) {
OPENMM_EXPORT void openmm_xmlserializer_serializestatetoc_(OpenMM_State*& state, char*& result, int& result_length) {
convertStringToChars(OpenMM_XmlSerializer_serializeState(state), result, result_length);
}
OPENMM_EXPORT void OPENMM_XMLSERIALIZER_SERIALIZESTATE(OpenMM_State*& state, char*& result, int& result_length) {
OPENMM_EXPORT void OPENMM_XMLSERIALIZER_SERIALIZESTATETOC(OpenMM_State*& state, char*& result, int& result_length) {
convertStringToChars(OpenMM_XmlSerializer_serializeState(state), result, result_length);
}
OPENMM_EXPORT void openmm_xmlserializer_serializeintegrator_(OpenMM_Integrator*& integrator, char*& result, int& result_length) {
OPENMM_EXPORT void openmm_xmlserializer_serializeintegratortoc_(OpenMM_Integrator*& integrator, char*& result, int& result_length) {
convertStringToChars(OpenMM_XmlSerializer_serializeIntegrator(integrator), result, result_length);
}
OPENMM_EXPORT void OPENMM_XMLSERIALIZER_SERIALIZEINTEGRATOR(OpenMM_Integrator*& integrator, char*& result, int& result_length) {
OPENMM_EXPORT void OPENMM_XMLSERIALIZER_SERIALIZEINTEGRATORTOC(OpenMM_Integrator*& integrator, char*& result, int& result_length) {
convertStringToChars(OpenMM_XmlSerializer_serializeIntegrator(integrator), result, result_length);
}
OPENMM_EXPORT void openmm_xmlserializer_deserializesystem_(const char* xml, OpenMM_System*& result, int length) {
......
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