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!
! KIM-API: An API for interatomic models
! Copyright (c) 2013--2022, Regents of the University of Minnesota.
! All rights reserved.
!
! Contributors:
! Ryan S. Elliott
!
! SPDX-License-Identifier: LGPL-2.1-or-later
!
! This library is free software; you can redistribute it and/or
! modify it under the terms of the GNU Lesser General Public
! License as published by the Free Software Foundation; either
! version 2.1 of the License, or (at your option) any later version.
!
! This library is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
! Lesser General Public License for more details.
!
! You should have received a copy of the GNU Lesser General Public License
! along with this library; if not, write to the Free Software Foundation,
! Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
!
!
! Release: This file is part of the kim-api.git repository.
!
!> \brief \copybrief KIM::ModelExtension
!!
!! \sa KIM::ModelExtension, KIM_ModelExtension
!!
!! \since 2.0
module kim_model_extension_module
use, intrinsic :: iso_c_binding
implicit none
private
public &
! Derived types
kim_model_extension_handle_type, &
! Constants
KIM_MODEL_EXTENSION_NULL_HANDLE, &
! Routines
operator(.eq.), &
operator(.ne.), &
kim_get_extension_id, &
kim_to_model, &
kim_to_model_compute, &
kim_to_model_create, &
kim_to_model_destroy, &
kim_to_model_driver_create, &
kim_to_model_refresh, &
kim_to_model_write_parameterized_model, &
kim_to_model_compute_arguments, &
kim_to_model_compute_arguments_create, &
kim_to_model_compute_arguments_destroy, &
kim_c_char_array_to_string, &
kim_c_char_ptr_to_string, &
kim_string_to_c_char_array, &
kim_get_model_buffer_pointer, &
kim_log_entry, &
kim_to_string
!> \brief \copybrief KIM::ModelExtension
!!
!! \sa KIM::ModelExtension, KIM_ModelExtension
!!
!! \since 2.0
type, bind(c) :: kim_model_extension_handle_type
type(c_ptr) :: p = c_null_ptr
end type kim_model_extension_handle_type
!> \brief NULL handle for use in comparisons.
!!
!! \since 2.0
type(kim_model_extension_handle_type), protected, save &
:: KIM_MODEL_EXTENSION_NULL_HANDLE
!> \brief Compares kim_model_extension_handle_type's for equality.
!!
!! \since 2.0
interface operator(.eq.)
module procedure kim_model_extension_handle_equal
end interface operator(.eq.)
!> \brief Compares kim_model_extension_handle_type's for inequality.
!!
!! \since 2.0
interface operator(.ne.)
module procedure kim_model_extension_handle_not_equal
end interface operator(.ne.)
!> \brief \copybrief KIM::ModelExtension::GetExtensionID
!!
!! \sa KIM::ModelExtension::GetExtensionID, KIM_ModelExtension_GetExtensionID
!!
!! \since 2.0
interface kim_get_extension_id
module procedure kim_model_extension_get_extension_id
end interface kim_get_extension_id
!> \brief \copybrief KIM::ModelExtension::Model
!!
!! \sa KIM::ModelExtension::Model, KIM_ModelExtension_ToModel
!!
!! \since 2.0
interface kim_to_model
module procedure kim_model_extension_to_model
end interface kim_to_model
!> \brief \copybrief KIM::ModelExtension::ModelCompute
!!
!! \sa KIM::ModelExtension::ModelCompute, KIM_ModelExtension_ToModelCompute
!!
!! \since 2.0
interface kim_to_model_compute
module procedure kim_model_extension_to_model_compute
end interface kim_to_model_compute
!> \brief \copybrief KIM::ModelExtension::ModelCompute
!!
!! \sa KIM::ModelExtension::ModelCompute, KIM_ModelExtension_ToModelCompute
!!
!! \since 2.0
interface kim_to_model_create
module procedure kim_model_extension_to_model_create
end interface kim_to_model_create
!> \brief \copybrief KIM::ModelExtension::ModelDestroy
!!
!! \sa KIM::ModelExtension::ModelDestroy, KIM_ModelExtension_ToModelDestroy
!!
!! \since 2.0
interface kim_to_model_destroy
module procedure kim_model_extension_to_model_destroy
end interface kim_to_model_destroy
!> \brief \copybrief KIM::ModelExtension::ModelDriverCreate
!!
!! \sa KIM::ModelExtension::ModelDriverCreate,
!! KIM_ModelExtension_ToModelDriverCreate
!!
!! \since 2.0
interface kim_to_model_driver_create
module procedure kim_model_extension_to_model_driver_create
end interface kim_to_model_driver_create
!> \brief \copybrief KIM::ModelExtension::ModelRefresh
!!
!! \sa KIM::ModelExtension::ModelRefresh, KIM_ModelExtension_ToModelRefresh
!!
!! \since 2.0
interface kim_to_model_refresh
module procedure kim_model_extension_to_model_refresh
end interface kim_to_model_refresh
!> \brief \copybrief KIM::ModelExtension::ModelWriteParameterizedModel
!!
!! \sa KIM::ModelExtension::ModelWriteParameterizedModel,
!! KIM_ModelExtension_ToModelWriteParameterizedModel
!!
!! \since 2.0
interface kim_to_model_write_parameterized_model
module procedure kim_model_extension_to_model_write_parameterized_model
end interface kim_to_model_write_parameterized_model
!> \brief \copybrief KIM::ModelExtension::ModelComputeArguments
!!
!! \sa KIM::ModelExtension::ModelComputeArguments,
!! KIM_ModelExtension_ToModelComputeArguments
!!
!! \since 2.0
interface kim_to_model_compute_arguments
module procedure kim_model_extension_to_model_compute_arguments
end interface kim_to_model_compute_arguments
!> \brief \copybrief KIM::ModelExtension::ModelComputeArgumentsCreate
!!
!! \sa KIM::ModelExtension::ModelComputeArgumentsCreate,
!! KIM_ModelExtension_ToModelComputeArgumentsCreate
!!
!! \since 2.0
interface kim_to_model_compute_arguments_create
module procedure kim_model_extension_to_model_compute_arguments_create
end interface kim_to_model_compute_arguments_create
!> \brief \copybrief KIM::ModelExtension::ModelComputeArgumentsDestroy
!!
!! \sa KIM::ModelExtension::ModelComputeArgumentsDestroy,
!! KIM_ModelExtension_ToModelComputeArgumentsDestroy
!!
!! \since 2.0
interface kim_to_model_compute_arguments_destroy
module procedure kim_model_extension_to_model_compute_arguments_destroy
end interface kim_to_model_compute_arguments_destroy
!> \brief Copy C character array to Fortran string
!!
!! \since 2.0
interface kim_c_char_array_to_string
module procedure kim_model_extension_convert_c_char_array_to_string
end interface kim_c_char_array_to_string
!> \brief Copy C character pointer to Fortran string
!!
!! \since 2.0
interface kim_c_char_ptr_to_string
module procedure kim_model_extension_convert_c_char_ptr_to_string
end interface kim_c_char_ptr_to_string
!> \brief Convert Fortran string to C character array
!!
!! \since 2.0
interface kim_string_to_c_char_array
module procedure kim_model_extension_convert_string_to_c_char_array
end interface kim_string_to_c_char_array
!> \brief \copybrief KIM::ModelExtension::GetModelBufferPointer
!!
!! \sa KIM::ModelExtension::GetModelBufferPointer,
!! KIM_ModelExtension_GetModelBufferPointer
!!
!! \since 2.0
interface kim_get_model_buffer_pointer
module procedure kim_model_extension_get_model_buffer_pointer
end interface kim_get_model_buffer_pointer
!> \brief \copybrief KIM::ModelExtension::LogEntry
!!
!! \sa KIM::ModelExtension::LogEntry, KIM_ModelExtension_LogEntry
!!
!! \since 2.0
interface kim_log_entry
module procedure kim_model_extension_log_entry
end interface kim_log_entry
!> \brief \copybrief KIM::ModelExtension::ToString
!!
!! \sa KIM::ModelExtension::ToString, KIM_ModelExtension_ToString
!!
!! \since 2.0
interface kim_to_string
module procedure kim_model_extension_to_string
end interface kim_to_string
contains
!> \brief Compares kim_model_extension_handle_type's for equality.
!!
!! \since 2.0
logical recursive function kim_model_extension_handle_equal(lhs, rhs)
implicit none
type(kim_model_extension_handle_type), intent(in) :: lhs
type(kim_model_extension_handle_type), intent(in) :: rhs
if ((.not. c_associated(lhs%p)) .and. (.not. c_associated(rhs%p))) then
kim_model_extension_handle_equal = .true.
else
kim_model_extension_handle_equal = c_associated(lhs%p, rhs%p)
end if
end function kim_model_extension_handle_equal
!> \brief Compares kim_model_extension_handle_type's for inequality.
!!
!! \since 2.0
logical recursive function kim_model_extension_handle_not_equal(lhs, rhs)
implicit none
type(kim_model_extension_handle_type), intent(in) :: lhs
type(kim_model_extension_handle_type), intent(in) :: rhs
kim_model_extension_handle_not_equal = .not. (lhs == rhs)
end function kim_model_extension_handle_not_equal
!> \brief \copybrief KIM::ModelExtension::GetExtensionID
!!
!! \sa KIM::ModelExtension::GetExtensionID, KIM_ModelExtension_GetExtensionID
!!
!! \since 2.0
recursive subroutine kim_model_extension_get_extension_id( &
model_extension_handle, extension_id)
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
use kim_interoperable_types_module, only: kim_model_extension_type
implicit none
interface
recursive subroutine get_extension_id(model_extension, extension_id) &
bind(c, name="KIM_ModelExtension_GetExtensionID")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_extension_type
implicit none
type(kim_model_extension_type), intent(in) :: model_extension
type(c_ptr), intent(out) :: extension_id
end subroutine get_extension_id
end interface
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
character(len=*, kind=c_char), intent(out) :: extension_id
type(kim_model_extension_type), pointer :: model_extension
type(c_ptr) :: p
call c_f_pointer(model_extension_handle%p, model_extension)
call get_extension_id(model_extension, p)
call kim_convert_c_char_ptr_to_string(p, extension_id)
end subroutine kim_model_extension_get_extension_id
!> \brief \copybrief KIM::ModelExtension::Model
!!
!! \sa KIM::ModelExtension::Model, KIM_ModelExtension_ToModel
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model(model_extension_handle, &
model_handle)
use kim_model_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(kim_model_handle_type), intent(out) :: model_handle
model_handle%p = model_extension_handle%p
end subroutine kim_model_extension_to_model
!> \brief \copybrief KIM::ModelExtension::ModelCompute
!!
!! \sa KIM::ModelExtension::ModelCompute, KIM_ModelExtension_ToModelCompute
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model_compute( &
model_extension_handle, model_compute_handle)
use kim_model_compute_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(kim_model_compute_handle_type), intent(out) :: model_compute_handle
model_compute_handle%p = model_extension_handle%p
end subroutine kim_model_extension_to_model_compute
!> \brief \copybrief KIM::ModelExtension::ModelCompute
!!
!! \sa KIM::ModelExtension::ModelCompute, KIM_ModelExtension_ToModelCompute
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model_create( &
model_extension_handle, model_create_handle)
use kim_model_create_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(kim_model_create_handle_type), intent(out) :: model_create_handle
model_create_handle%p = model_extension_handle%p
end subroutine kim_model_extension_to_model_create
!> \brief \copybrief KIM::ModelExtension::ModelDestroy
!!
!! \sa KIM::ModelExtension::ModelDestroy, KIM_ModelExtension_ToModelDestroy
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model_destroy( &
model_extension_handle, model_destroy_handle)
use kim_model_destroy_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(kim_model_destroy_handle_type), intent(out) :: model_destroy_handle
model_destroy_handle%p = model_extension_handle%p
end subroutine kim_model_extension_to_model_destroy
!> \brief \copybrief KIM::ModelExtension::ModelDriverCreate
!!
!! \sa KIM::ModelExtension::ModelDriverCreate,
!! KIM_ModelExtension_ToModelDriverCreate
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model_driver_create( &
model_extension_handle, model_driver_create_handle)
use kim_model_driver_create_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(kim_model_driver_create_handle_type), intent(out) &
:: model_driver_create_handle
model_driver_create_handle%p = model_extension_handle%p
end subroutine kim_model_extension_to_model_driver_create
!> \brief \copybrief KIM::ModelExtension::ModelRefresh
!!
!! \sa KIM::ModelExtension::ModelRefresh, KIM_ModelExtension_ToModelRefresh
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model_refresh( &
model_extension_handle, model_refresh_handle)
use kim_model_refresh_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(kim_model_refresh_handle_type), intent(out) :: model_refresh_handle
model_refresh_handle%p = model_extension_handle%p
end subroutine kim_model_extension_to_model_refresh
!> \brief \copybrief KIM::ModelExtension::ModelWriteParameterizedModel
!!
!! \sa KIM::ModelExtension::ModelWriteParameterizedModel,
!! KIM_ModelExtension_ToModelWriteParameterizedModel
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model_write_parameterized_model( &
model_extension_handle, model_write_parameterized_model_handle)
use kim_model_write_parameterized_model_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(kim_model_write_parameterized_model_handle_type), intent(out) &
:: model_write_parameterized_model_handle
model_write_parameterized_model_handle%p = model_extension_handle%p
end subroutine kim_model_extension_to_model_write_parameterized_model
!> \brief \copybrief KIM::ModelExtension::ModelComputeArguments
!!
!! \sa KIM::ModelExtension::ModelComputeArguments,
!! KIM_ModelExtension_ToModelComputeArguments
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model_compute_arguments( &
model_extension_handle, compute_arguments_c_ptr, &
model_compute_arguments_handle)
use kim_model_compute_arguments_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(c_ptr), intent(in) :: compute_arguments_c_ptr
type(kim_model_compute_arguments_handle_type), intent(out) &
:: model_compute_arguments_handle
! avoid unused dummy argument warnings
if (model_extension_handle == KIM_MODEL_EXTENSION_NULL_HANDLE) continue
model_compute_arguments_handle%p = compute_arguments_c_ptr
end subroutine kim_model_extension_to_model_compute_arguments
!> \brief \copybrief KIM::ModelExtension::ModelComputeArgumentsCreate
!!
!! \sa KIM::ModelExtension::ModelComputeArgumentsCreate,
!! KIM_ModelExtension_ToModelComputeArgumentsCreate
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model_compute_arguments_create( &
model_extension_handle, compute_arguments_c_ptr, &
model_compute_arguments_create_handle)
use kim_model_compute_arguments_create_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(c_ptr), intent(in) :: compute_arguments_c_ptr
type(kim_model_compute_arguments_create_handle_type), intent(out) &
:: model_compute_arguments_create_handle
! avoid unused dummy argument warnings
if (model_extension_handle == KIM_MODEL_EXTENSION_NULL_HANDLE) continue
model_compute_arguments_create_handle%p = compute_arguments_c_ptr
end subroutine kim_model_extension_to_model_compute_arguments_create
!> \brief \copybrief KIM::ModelExtension::ModelComputeArgumentsDestroy
!!
!! \sa KIM::ModelExtension::ModelComputeArgumentsDestroy,
!! KIM_ModelExtension_ToModelComputeArgumentsDestroy
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_model_compute_arguments_destroy( &
model_extension_handle, compute_arguments_c_ptr, &
model_compute_arguments_destroy_handle)
use kim_model_compute_arguments_destroy_module
implicit none
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(c_ptr), intent(in) :: compute_arguments_c_ptr
type(kim_model_compute_arguments_destroy_handle_type), intent(out) &
:: model_compute_arguments_destroy_handle
! avoid unused dummy argument warnings
if (model_extension_handle == KIM_MODEL_EXTENSION_NULL_HANDLE) continue
model_compute_arguments_destroy_handle%p = compute_arguments_c_ptr
end subroutine kim_model_extension_to_model_compute_arguments_destroy
!> \brief Copy C character array to Fortran string
!!
!! \since 2.0
recursive subroutine kim_model_extension_convert_c_char_array_to_string( &
c_char_array, string)
use kim_convert_string_module, only: kim_convert_c_char_array_to_string
implicit none
character(len=1, kind=c_char), intent(in) :: c_char_array(:)
character(len=*, kind=c_char), intent(out) :: string
call kim_convert_c_char_array_to_string(c_char_array, string)
end subroutine kim_model_extension_convert_c_char_array_to_string
!> \brief Copy C character pointer to Fortran string
!!
!! \since 2.0
recursive subroutine kim_model_extension_convert_c_char_ptr_to_string( &
c_char_ptr, string)
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
type(c_ptr), intent(in) :: c_char_ptr
character(len=*, kind=c_char), intent(out) :: string
call kim_convert_c_char_ptr_to_string(c_char_ptr, string)
end subroutine kim_model_extension_convert_c_char_ptr_to_string
!> \brief Convert Fortran string to C character array
!!
!! \since 2.0
recursive subroutine kim_model_extension_convert_string_to_c_char_array( &
string, c_char_array)
use kim_convert_string_module, only: kim_convert_string_to_c_char_array
implicit none
character(len=*, kind=c_char), intent(in) :: string
character(len=1, kind=c_char), intent(out) :: c_char_array(:)
call kim_convert_string_to_c_char_array(string, c_char_array)
end subroutine kim_model_extension_convert_string_to_c_char_array
!> \brief \copybrief KIM::ModelExtension::GetModelBufferPointer
!!
!! \sa KIM::ModelExtension::GetModelBufferPointer,
!! KIM_ModelExtension_GetModelBufferPointer
!!
!! \since 2.0
recursive subroutine kim_model_extension_get_model_buffer_pointer( &
model_extension_handle, ptr)
use kim_interoperable_types_module, only: kim_model_extension_type
implicit none
interface
recursive subroutine get_model_buffer_pointer(model_extension, ptr) &
bind(c, name="KIM_ModelExtension_GetModelBufferPointer")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_extension_type
implicit none
type(kim_model_extension_type), intent(in) :: model_extension
type(c_ptr), intent(out) :: ptr
end subroutine get_model_buffer_pointer
end interface
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(c_ptr), intent(out) :: ptr
type(kim_model_extension_type), pointer :: model_extension
call c_f_pointer(model_extension_handle%p, model_extension)
call get_model_buffer_pointer(model_extension, ptr)
end subroutine kim_model_extension_get_model_buffer_pointer
!> \brief \copybrief KIM::ModelExtension::LogEntry
!!
!! \sa KIM::ModelExtension::LogEntry, KIM_ModelExtension_LogEntry
!!
!! \since 2.0
recursive subroutine kim_model_extension_log_entry(model_extension_handle, &
log_verbosity, message)
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_model_extension_type
implicit none
interface
recursive subroutine log_entry( &
model_extension, log_verbosity, message, line_number, file_name) &
bind(c, name="KIM_ModelExtension_LogEntry")
use, intrinsic :: iso_c_binding
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_model_extension_type
implicit none
type(kim_model_extension_type), intent(in) :: model_extension
type(kim_log_verbosity_type), intent(in), value :: log_verbosity
character(c_char), intent(in) :: message(*)
integer(c_int), intent(in), value :: line_number
character(c_char), intent(in) :: file_name(*)
end subroutine log_entry
end interface
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
type(kim_log_verbosity_type), intent(in) :: log_verbosity
character(len=*, kind=c_char), intent(in) :: message
type(kim_model_extension_type), pointer :: model_extension
call c_f_pointer(model_extension_handle%p, model_extension)
call log_entry(model_extension, log_verbosity, trim(message)//c_null_char, &
0, ""//c_null_char)
end subroutine kim_model_extension_log_entry
!> \brief \copybrief KIM::ModelExtension::ToString
!!
!! \sa KIM::ModelExtension::ToString, KIM_ModelExtension_ToString
!!
!! \since 2.0
recursive subroutine kim_model_extension_to_string(model_extension_handle, &
string)
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
use kim_interoperable_types_module, only: kim_model_extension_type
implicit none
interface
type(c_ptr) recursive function model_extension_string(model_extension) &
bind(c, name="KIM_ModelExtension_ToString")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_extension_type
implicit none
type(kim_model_extension_type), intent(in) :: model_extension
end function model_extension_string
end interface
type(kim_model_extension_handle_type), intent(in) :: model_extension_handle
character(len=*, kind=c_char), intent(out) :: string
type(kim_model_extension_type), pointer :: model_extension
type(c_ptr) :: p
call c_f_pointer(model_extension_handle%p, model_extension)
p = model_extension_string(model_extension)
call kim_convert_c_char_ptr_to_string(p, string)
end subroutine kim_model_extension_to_string
end module kim_model_extension_module
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