Mike Garrahan's fix to the Fortran wrapper for getState()

examples/HelloArgonInFortran.f90

@@ -67,7 +67,7 @@ PROGRAM HelloArgon
     frameNum = 1
     do
         ! Output current state information.
-        call OpenMM_Context_getState(context, OpenMM_State_Positions, state, 0)
+        call OpenMM_Context_getState(context, OpenMM_State_Positions, OpenMM_False, state)
         timeInPs = OpenMM_State_getTime(state)
         call writePdbFrame(frameNum, state) !output coordinates
         call OpenMM_State_destroy(state)

examples/HelloSodiumChlorideInFortran.f90

@@ -279,7 +279,7 @@ SUBROUTINE myGetOpenMMState(ommHandle, timeInPs, energyInKcal)
     ! Forces are also available (and cheap).
     
     ! Don't forget to destroy this State when you're done with it.
-    call OpenMM_Context_getState(context, infoMask, state, 0) 
+    call OpenMM_Context_getState(context, infoMask, OpenMM_False, state) 
     timeInPs = OpenMM_State_getTime(state) ! OpenMM time is in ps already.
     
     ! Positions are maintained as a Vec3Array inside the State. This will give

wrappers/FortranWrapper_Header.xslt

@@ -27,6 +27,8 @@
 
 <!-- Do not generate functions for the following classes -->
 <xsl:variable name="skip_classes" select="('Vec3', 'Kernel', 'Stream', 'KernelImpl', 'StreamImpl', 'KernelFactory', 'StreamFactory')"/>
+<!-- Do not generate the following functions -->
+<xsl:variable name="skip_methods" select="('OpenMM_Context_getState', 'OpenMM_Platform_loadPluginsFromDirectory')"/>
 <!-- Suppress any function which references any of the following classes -->
 <xsl:variable name="hide_classes" select="('Kernel', 'Stream', 'KernelImpl', 'StreamImpl', 'KernelFactory', 'StreamFactory', 'ContextImpl')"/>
 
@@ -249,6 +251,22 @@ MODULE OpenMM
  <xsl:with-param name="name" select="'OpenMM_DoubleArray'"/>
 </xsl:call-template>
 
+        ! These methods need to be handled specially, since their C++ APIs cannot be directly translated to Fortran.
+        ! Unlike the C++ versions, the return value is allocated on the heap, and you must delete it yourself.
+        subroutine OpenMM_Context_getState(target, types, enforcePeriodicBox, result)
+            use OpenMM_Types; implicit none
+            type (OpenMM_Context) target
+            integer*4 types
+            integer*4 enforcePeriodicBox
+            type (OpenMM_State) result
+        end
+
+        subroutine OpenMM_Platform_loadPluginsFromDirectory(directory, result)
+            use OpenMM_Types; implicit none
+            character(*) directory
+            type (OpenMM_StringArray) result
+        end
+
  <!-- Class members -->
  <xsl:for-each select="Class[@context=$openmm_namespace_id and empty(index-of($skip_classes, @name))]">
   <xsl:call-template name="class"/>
@@ -507,6 +525,8 @@ END MODULE OpenMM
 <!-- Determine whether a method should be hidden -->
 <xsl:template name="should_hide">
  <xsl:variable name="class_id" select="@context"/>
+ <xsl:variable name="method_name" select="concat('OpenMM_', /GCC_XML/Class[@id=$class_id]/@name, '_', @name)"/>
+ <xsl:if test="not(empty(index-of($skip_methods, $method_name)))">1</xsl:if>
  <xsl:call-template name="hide_type">
   <xsl:with-param name="type_id" select="@returns"/>
  </xsl:call-template>