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Commit 1ec69c95 authored by Peter Eastman's avatar Peter Eastman
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Mike Garrahan's updates to the Fortran wrappers (see bug 1714)

parent 86573494
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Showing with 60 additions and 51 deletions
wrappers/FortranWrapper_Header.xslt
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......@@ -40,10 +40,7 @@ MODULE OpenMM_Types
! Global Constants
<xsl:for-each select="Variable[@context=$openmm_namespace_id]">
real*8 OpenMM_<xsl:value-of select="@name"/>
</xsl:for-each>
<xsl:for-each select="Variable[@context=$openmm_namespace_id]">
parameter(OpenMM_<xsl:value-of select="concat(@name, '=', number(@init), ')')"/>
real*8, parameter :: OpenMM_<xsl:value-of select="concat(@name, ' = ', number(@init))"/>
</xsl:for-each>
! Type Declarations
......@@ -76,12 +73,14 @@ MODULE OpenMM_Types
integer*8 :: handle = 0
end type
type OpenMM_IntArray
integer*8 :: handle = 0
end type
! Enumerations
integer*4 OpenMM_False
integer*4 OpenMM_True
parameter(OpenMM_False=0)
parameter(OpenMM_True=1)
integer*4, parameter :: OpenMM_False = 0
integer*4, parameter :: OpenMM_True = 1
<xsl:for-each select="Class[@context=$openmm_namespace_id and empty(index-of($skip_classes, @name))]">
<xsl:variable name="class_id" select="@id"/>
<xsl:variable name="class_name" select="@name"/>
......@@ -103,155 +102,161 @@ MODULE OpenMM
real*8 vec(3)
real*8 scale
real*8 result(3)
end
end subroutine
! OpenMM_Vec3Array
subroutine OpenMM_Vec3Array_create(result, size)
use OpenMM_Types; implicit none
integer*4 size
type (OpenMM_Vec3Array) result
end
end subroutine
subroutine OpenMM_Vec3Array_destroy(destroy)
use OpenMM_Types; implicit none
type (OpenMM_Vec3Array) destroy
end
end subroutine
function OpenMM_Vec3Array_getSize(target)
use OpenMM_Types; implicit none
type (OpenMM_Vec3Array) target
integer*4 OpenMM_Vec3Array_getSize
end
end function
subroutine OpenMM_Vec3Array_resize(target, size)
use OpenMM_Types; implicit none
type (OpenMM_Vec3Array) target
integer*4 size
end
end subroutine
subroutine OpenMM_Vec3Array_append(target, vec)
use OpenMM_Types; implicit none
type (OpenMM_Vec3Array) target
real*8 vec(3)
end
end subroutine
subroutine OpenMM_Vec3Array_set(target, index, vec)
use OpenMM_Types; implicit none
type (OpenMM_Vec3Array) target
integer*4 index
real*8 vec(3)
end
end subroutine
subroutine OpenMM_Vec3Array_get(target, index, result)
use OpenMM_Types; implicit none
type (OpenMM_Vec3Array) target
integer*4 index
real*8 result(3)
end
end subroutine
! OpenMM_StringArray
subroutine OpenMM_StringArray_create(result, size)
use OpenMM_Types; implicit none
integer*4 size
type (OpenMM_StringArray) result
end
end subroutine
subroutine OpenMM_StringArray_destroy(destroy)
use OpenMM_Types; implicit none
type (OpenMM_StringArray) destroy
end
end subroutine
function OpenMM_StringArray_getSize(target)
use OpenMM_Types; implicit none
type (OpenMM_StringArray) target
integer*4 OpenMM_StringArray_getSize
end
end function
subroutine OpenMM_StringArray_resize(target, size)
use OpenMM_Types; implicit none
type (OpenMM_StringArray) target
integer*4 size
end
end subroutine
subroutine OpenMM_StringArray_append(target, str)
use OpenMM_Types; implicit none
type (OpenMM_StringArray) target
character(*) str
end
end subroutine
subroutine OpenMM_StringArray_set(target, index, str)
use OpenMM_Types; implicit none
type (OpenMM_StringArray) target
integer*4 index
character(*) str
end
end subroutine
subroutine OpenMM_StringArray_get(target, index, result)
use OpenMM_Types; implicit none
type (OpenMM_StringArray) target
integer*4 index
character(*) result
end
end subroutine
! OpenMM_BondArray
subroutine OpenMM_BondArray_create(result, size)
use OpenMM_Types; implicit none
integer*4 size
type (OpenMM_BondArray) result
end
end subroutine
subroutine OpenMM_BondArray_destroy(destroy)
use OpenMM_Types; implicit none
type (OpenMM_BondArray) destroy
end
end subroutine
function OpenMM_BondArray_getSize(target)
use OpenMM_Types; implicit none
type (OpenMM_BondArray) target
integer*4 OpenMM_BondArray_getSize
end
end function
subroutine OpenMM_BondArray_resize(target, size)
use OpenMM_Types; implicit none
type (OpenMM_BondArray) target
integer*4 size
end
end subroutine
subroutine OpenMM_BondArray_append(target, particle1, particle2)
use OpenMM_Types; implicit none
type (OpenMM_BondArray) target
integer*4 particle1
integer*4 particle2
end
end subroutine
subroutine OpenMM_BondArray_set(target, index, particle1, particle2)
use OpenMM_Types; implicit none
type (OpenMM_BondArray) target
integer*4 index
integer*4 particle1
integer*4 particle2
end
end subroutine
subroutine OpenMM_BondArray_get(target, index, particle1, particle2)
use OpenMM_Types; implicit none
type (OpenMM_BondArray) target
integer*4 index
integer*4 particle1
integer*4 particle2
end
end subroutine
! OpenMM_ParameterArray
function OpenMM_ParameterArray_getSize(target)
use OpenMM_Types; implicit none
type (OpenMM_ParameterArray) target
integer*4 OpenMM_ParameterArray_getSize
end
end function
subroutine OpenMM_ParameterArray_get(target, name, result)
use OpenMM_Types; implicit none
type (OpenMM_ParameterArray) target
character(*) name
character(*) result
end
end subroutine
! OpenMM_PropertyArray
function OpenMM_PropertyArray_getSize(target)
use OpenMM_Types; implicit none
type (OpenMM_ParameterArray) target
integer*4 OpenMM_PropertyArray_getSize
end
end function
subroutine OpenMM_PropertyArray_get(target, name, result)
use OpenMM_Types; implicit none
type (OpenMM_PropertyArray) target
character(*) name
character(*) result
end
end subroutine
<xsl:call-template name="primitive_array">
<xsl:with-param name="element_type" select="'real*8'"/>
<xsl:with-param name="name" select="'OpenMM_DoubleArray'"/>
</xsl:call-template>
<xsl:call-template name="primitive_array">
<xsl:with-param name="element_type" select="'integer*4'"/>
<xsl:with-param name="name" select="'OpenMM_IntArray'"/>
</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)
......@@ -260,13 +265,13 @@ MODULE OpenMM
integer*4 types
integer*4 enforcePeriodicBox
type (OpenMM_State) result
end
end subroutine
subroutine OpenMM_Platform_loadPluginsFromDirectory(directory, result)
use OpenMM_Types; implicit none
character(*) directory
type (OpenMM_StringArray) result
end
end subroutine
<!-- Class members -->
<xsl:for-each select="Class[@context=$openmm_namespace_id and empty(index-of($skip_classes, @name))]">
......@@ -285,38 +290,38 @@ END MODULE OpenMM
use OpenMM_Types; implicit none
integer*4 size
type (<xsl:value-of select="$name"/>) result
end
end subroutine
subroutine <xsl:value-of select="$name"/>_destroy(destroy)
use OpenMM_Types; implicit none
type (<xsl:value-of select="$name"/>) destroy
end
end subroutine
function <xsl:value-of select="$name"/>_getSize(target)
use OpenMM_Types; implicit none
type (<xsl:value-of select="$name"/>) target
integer*4 <xsl:value-of select="$name"/>_getSize
end
end function
subroutine <xsl:value-of select="$name"/>_resize(target, size)
use OpenMM_Types; implicit none
type (<xsl:value-of select="$name"/>) target
integer*4 size
end
end subroutine
subroutine <xsl:value-of select="$name"/>_append(target, value)
use OpenMM_Types; implicit none
type (<xsl:value-of select="$name"/>) target
<xsl:value-of select="$element_type"/> value
end
end subroutine
subroutine <xsl:value-of select="$name"/>_set(target, index, value)
use OpenMM_Types; implicit none
type (<xsl:value-of select="$name"/>) target
integer*4 index
<xsl:value-of select="$element_type"/> value
end
end subroutine
subroutine <xsl:value-of select="$name"/>_get(target, index, result)
use OpenMM_Types; implicit none
type (<xsl:value-of select="$name"/>) target
integer*4 index
<xsl:value-of select="$element_type"/> result
end
end subroutine
</xsl:template>
<!-- Print out information for a class -->
......@@ -357,11 +362,8 @@ END MODULE OpenMM
<xsl:template name="enumeration">
<xsl:param name="class_name"/>
<xsl:for-each select="EnumValue">
integer*4 OpenMM_<xsl:value-of select="concat($class_name, '_', @name)"/>
</xsl:for-each>
<xsl:for-each select="EnumValue">
parameter(OpenMM_<xsl:value-of select="concat($class_name, '_', @name, '=', @init, ')')"/>
</xsl:for-each>
integer*4, parameter :: OpenMM_<xsl:value-of select="concat($class_name, '_', @name, ' = ', @init)"/>
</xsl:for-each>
<xsl:value-of select="$newline"/>
</xsl:template>
......@@ -383,7 +385,7 @@ END MODULE OpenMM
</xsl:call-template>
<xsl:value-of select="$newline"/>
</xsl:for-each>
<xsl:value-of select="' end'"/>
<xsl:value-of select="' end subroutine'"/>
</xsl:template>
<!-- Print out the declaration for a destructor -->
......@@ -391,7 +393,7 @@ END MODULE OpenMM
subroutine OpenMM_<xsl:value-of select="concat(@name, '_destroy(destroy)')"/>
use OpenMM_Types; implicit none
type (OpenMM_<xsl:value-of select="concat(@name, ') destroy', $newline)"/>
<xsl:value-of select="' end'"/>
<xsl:value-of select="' end subroutine'"/>
</xsl:template>
<!-- Print out the declaration for a method -->
......@@ -460,7 +462,14 @@ END MODULE OpenMM
</xsl:call-template>
<xsl:value-of select="$newline"/>
</xsl:if>
<xsl:value-of select="' end'"/>
<xsl:choose>
<xsl:when test="$has_return">
<xsl:value-of select="' end function'"/>
</xsl:when>
<xsl:otherwise>
<xsl:value-of select="' end subroutine'"/>
</xsl:otherwise>
</xsl:choose>
</xsl:template>
<!-- Print out the description of an argument -->
......
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