AMNS User Interface

AMNS User Interface: Fortran Calls

The 9 calls to the AMNS system are:

1. ITM_AMNS_SETUP, initialization call for the AMNS package

   subroutine ITM_AMNS_SETUP(handle, version, error_status)
       optional version, error_status
       type(amns_handle_type), intent(out) :: handle
       type(amns_version_type), intent(in) :: version
       type(amns_error_type), intent(out) :: error_status

2. ITM_AMNS_QUERY, query routine for the AMNS package

   subroutine ITM_AMNS_QUERY(handle,query,answer,error_status)
       optional error_status
       type(amns_handle_type), intent(in) :: handle
       type(amns_query_type), intent(in) :: query
       type(amns_answer_type), intent(out) :: answer
       type(amns_error_type), intent(out) :: error_status

3. ITM_AMNS_SET, set a parameter for the AMNS package

   subroutine ITM_AMNS_SET(handle,set,error_status)
       optional error_status
       type(amns_handle_type), intent(in) :: handle
       type(amns_set_type), intent(in) :: set
       type(amns_error_type), intent(out) :: error_status

4. ITM_AMNS_FINISH, finalization call for the AMNS package

   subroutine ITM_AMNS_FINISH(handle, error_status)
       optional error_status
       type(amns_handle_type), intent(inout) :: handle
       type(amns_error_type), intent(out) :: error_status

5. ITM_AMNS_SETUP_TABLE, initialization call for a particular reaction

   subroutine ITM_AMNS_SETUP_TABLE(handle, reaction_type, reactant, handle_rx, error_status)
       optional error_status
       type(amns_handle_type), intent(in) :: handle
       type(amns_reaction_type), intent(in) :: reaction_type
       type(amns_reactants_type), intent(in) :: reactant
       type(amns_handle_rx_type), intent(out) :: handle_rx
       type(amns_error_type), intent(out) :: error_status

6. ITM_AMNS_QUERY_TABLE, query routine for a particular reaction

   subroutine ITM_AMNS_QUERY_TABLE(handle_rx,query,answer,error_status)
       optional error_status
       type(amns_handle_rx_type), intent(in) :: handle_rx
       type(amns_query_type), intent(in) :: query
       type(amns_answer_type), intent(out) :: answer
       type(amns_error_type), intent(out) :: error_status

7. ITM_AMNS_SET_TABLE, set a parameter for a particular reaction

   subroutine ITM_AMNS_SET_TABLE(handle_rx,set,error_status)
       optional error_status
       type(amns_handle_rx_type), intent(in) :: handle_rx
       type(amns_set_type), intent(in) :: set
       type(amns_error_type), intent(out) :: error_status

8. ITM_AMNS_FINISH_TABLE, finalization call for a particular reaction

   subroutine ITM_AMNS_FINISH_TABLE(handle_rx, error_status)
       optional error_status
       type(amns_handle_rx_type), intent(inout) :: handle_rx
       type(amns_error_type), intent(out) :: error_status

9. ITM_AMNS_RX, get the rates associated with the input args for a particular reaction

   interface ITM_AMNS_RX
       module procedure ITM_AMNS_RX_1, ITM_AMNS_RX_2, ITM_AMNS_RX_3
     end interface
   
     subroutine ITM_AMNS_RX_1(handle_rx,out,arg1,arg2,arg3,error_status)
       optional arg2,arg3,error_status
       type(amns_handle_rx_type), intent(inout) :: handle_rx
       real (kind=R8), intent(out) :: out(:)
       real (kind=R8), intent(in) :: arg1(:),arg2(:),arg3(:)
       type(amns_error_type), intent(out) :: error_status
   
     subroutine ITM_AMNS_RX_2(handle_rx,out,arg1,arg2,arg3,error_status)
       optional arg2,arg3,error_status
       type(amns_handle_rx_type), intent(inout) :: handle_rx
       real (kind=R8), intent(out) :: out(:,:)
       real (kind=R8), intent(in) :: arg1(:,:),arg2(:,:),arg3(:,:)
       type(amns_error_type), intent(out) :: error_status
   
     subroutine ITM_AMNS_RX_3(handle_rx,out,arg1,arg2,arg3,error_status)
       optional arg2,arg3,error_status
       type(amns_handle_rx_type), intent(inout) :: handle_rx
       real (kind=R8), intent(out) :: out(:,:,:)
       real (kind=R8), intent(in) :: arg1(:,:,:),arg2(:,:,:),arg3(:,:,:)
       type(amns_error_type), intent(out) :: error_status

AMNS User Interface Example (Fortran)

An example of the use of the code can be found in the (fortran minimal example):

program minimal
  use itm_types
  use amns_types
  use amns_module

  implicit none

  type (amns_handle_type) :: amns                            ! AMNS global handle
  type (amns_handle_rx_type)  :: amns_rx                     ! AMNS table handle
  type (amns_reaction_type) :: xx_rx
  type (amns_reactants_type) :: species
  real (kind=R8) :: te=100.0_R8, ne=1e20_R8, rate

  call ITM_AMNS_SETUP(amns)                                  ! set up the AMNS system
  allocate(species%components(4))                            ! set up reactants
  species%components = (/ amns_reactant_type(6, 1, 12, 0), &
                          amns_reactant_type(1, 0, 2, 0), &
                          amns_reactant_type(6, 0, 12, 1), &
                          amns_reactant_type(1, 1, 2, 1) /)
  xx_rx%string='CX'                                          ! set up reaction
  call ITM_AMNS_SETUP_TABLE(amns, xx_rx, species, amns_rx)   ! set up table
  call ITM_AMNS_RX(amns_rx, rate, te, ne)                    ! get results
  write(*,*) 'Rate = ', rate
  call ITM_AMNS_FINISH_TABLE(amns_rx)                        ! finish with table
  call ITM_AMNS_FINISH(amns)                                 ! finish with amns

end program minimal

AMNS User Interface Example Fortran Makefile

An example Makefile demonstrating the use of the AMNS routines:

obj/minimal: src/minimal.f90
        ifort -g -o $@ $< ${shell eval-pkg-config --cflags --libs \
	  amns-amd64_intel_12 itmtypes-amd64_intel_12 ual-amd64_intel_12}

AMNS User Interface: C Calls

The 9 calls to the AMNS system are:

1. ITM_AMNS_SETUP, initialization call for the AMNS package

   void ITM_AMNS_C_SETUP(void **handle_out, amns_error_type *error_status);

2. ITM_AMNS_QUERY, query routine for the AMNS package

   void ITM_AMNS_C_QUERY(void *handle_in, amns_query_type *query, 
                         amns_answer_type *answer, amns_error_type *error_status)

3. ITM_AMNS_SET, set a parameter for the AMNS package

   void ITM_AMNS_C_SET(void *handle_in, amns_set_type *set, amns_error_type *error_status);

4. ITM_AMNS_FINISH, finalization call for the AMNS package

   void ITM_AMNS_C_FINISH(void **handle_inout, amns_error_type *error_status);

5. ITM_AMNS_SETUP_TABLE, initialization call for a particular reaction

   void ITM_AMNS_C_SETUP_TABLE(void *handle_in, amns_reaction_type *reaction_type, 
                               void *reactant_handle_in, void **handle_rx_out, 
                               amns_error_type *error_status);

6. ITM_AMNS_QUERY_TABLE, query routine for a particular reaction

   void ITM_AMNS_C_QUERY_TABLE(void *handle_rx_in, amns_query_type *query, 
                               amns_answer_type *answer, amns_error_type *error_status);

7. ITM_AMNS_SET_TABLE, set a parameter for a particular reaction

   void ITM_AMNS_C_SET_TABLE(void *handle_rx_in, amns_set_type *set, 
                             amns_error_type *error_status);

8. ITM_AMNS_FINISH_TABLE, finalization call for a particular reaction

   void ITM_AMNS_C_FINISH_TABLE(void **handle_rx_inout, amns_error_type *error_status);

9. ITM_AMNS_RX, get the rates associated with the input args for a particular reaction

   void ITM_AMNS_C_RX_0_A(void *handle_rx_in, double *out, 
                          double arg1, amns_error_type *error_status);
   void ITM_AMNS_C_RX_0_B(void *handle_rx_in, double *out, 
                          double arg1, double arg2, amns_error_type *error_status);
   void ITM_AMNS_C_RX_0_C(void *handle_rx_in, double *out, 
                          double arg1, double arg2, double arg3, amns_error_type *error_s
   tatus);
   
   void ITM_AMNS_C_RX_1_A(void *handle_rx_in, int nx, double *out, 
                          double *arg1, amns_error_type *error_status);
   void ITM_AMNS_C_RX_1_B(void *handle_rx_in, int nx, double *out, 
                          double *arg1, double *arg2, amns_error_type *error_status);
   void ITM_AMNS_C_RX_1_C(void *handle_rx_in, int nx, double *out, 
                          double *arg1, double *arg2, double *arg3, amns_error_ty
   pe *error_status);
   
   void ITM_AMNS_C_RX_2_A(void *handle_rx_in, int nx, int ny, 
                          double *out, double *arg1, amns_error_type *error_status);
   void ITM_AMNS_C_RX_2_B(void *handle_rx_in, int nx, int ny, 
                          double *out, double *arg1, double *arg2, amns_error_type *error_status);
   void ITM_AMNS_C_RX_2_C(void *handle_rx_in, int nx, int ny, 
                          double *out, double *arg1, double *arg2, double *arg3, amns_error_type *error_status);
   
   void ITM_AMNS_C_RX_3_A(void *handle_rx_in, int nx, int ny, int nz, 
                          double *out, double *arg1, amns_error_type *error_status);
   void ITM_AMNS_C_RX_3_B(void *handle_rx_in, int nx, int ny, int nz, 
                          double *out, double *arg1, double *arg2, amns_error_type *error_status);
   void ITM_AMNS_C_RX_3_C(void *handle_rx_in, int nx, int ny, int nz, 
                          double *out, double *arg1, double *arg2, double *arg3, amns_error_type *error_status);

In addition, service routines are provided for dealing with reactants:

void ITM_AMNS_C_SETUP_REACTANTS(void **reactants_handle_out, char string_in[reaction_length], 
                                int index_in, int n_react
ants);
void ITM_AMNS_C_SET_REACTANT(void *reactants_handle_in, int reactant_index, amns_reactant_type *reactant_in);
void ITM_AMNS_C_GET_REACTANT(void *reactants_handle_in, int reactant_index, amns_reactant_type *reactant_out);
void ITM_AMNS_C_FINISH_REACTANTS(void **reactants_handle_inout);

AMNS User Interface Example (C)

An example of the use of the code can be found in the (c minimal example):

#include "amns_interface.h"

int main(int argc, char *argv[])
{
  void* amns_handle = NULL;
  amns_c_error_type error_stat = DEFAULT_AMNS_C_ERROR_TYPE;
  void* reactants_handle = NULL;
  amns_c_reactant_type species1  = {.ZN=6, .ZA=1, .MI=12, .LR=0};
  amns_c_reactant_type species2  = {.ZN=1, .ZA=0, .MI=2 , .LR=0};
  amns_c_reactant_type species3  = {.ZN=6, .ZA=0, .MI=12, .LR=1};
  amns_c_reactant_type species4  = {.ZN=1, .ZA=1, .MI=2 , .LR=1};
  amns_c_reaction_type xx_rx  = {.string = "CX"};
  void* amns_cx_handle;
  double rate;

  ITM_AMNS_CC_SETUP(&amns_handle, &error_stat);
  printf("error = %s: %s\n", error_stat.flag ? "true" : "false", error_stat.string);
  ITM_AMNS_CC_SETUP_REACTANTS(&reactants_handle, "", 0, 4);
  ITM_AMNS_CC_SET_REACTANT(reactants_handle, 1, &species1);
  ITM_AMNS_CC_SET_REACTANT(reactants_handle, 2, &species2);
  ITM_AMNS_CC_SET_REACTANT(reactants_handle, 3, &species3);
  ITM_AMNS_CC_SET_REACTANT(reactants_handle, 4, &species4);
  ITM_AMNS_CC_SETUP_TABLE(amns_handle, &xx_rx, reactants_handle, &amns_cx_handle, &error_stat);
  printf("error = %s: %s\n", error_stat.flag ? "true" : "false", error_stat.string);
  ITM_AMNS_CC_RX_0_B(amns_cx_handle, &rate, 100.0, 1e20, &error_stat);
  printf("error = %s: %s\n", error_stat.flag ? "true" : "false", error_stat.string);
  printf("rate=%e\n", rate);
  ITM_AMNS_CC_FINISH_TABLE(&amns_cx_handle, &error_stat);
  printf("error = %s: %s\n", error_stat.flag ? "true" : "false", error_stat.string);
  ITM_AMNS_CC_FINISH_REACTANTS(&reactants_handle);
  ITM_AMNS_CC_FINISH(&amns_handle, &error_stat);
  printf("error = %s: %s\n", error_stat.flag ? "true" : "false", error_stat.string);
  return 0;
}

AMNS User Interface Example C Makefile

An example Makefile demonstrating the use of the AMNS routines:

obj/minimal: src/minimal.c
        gcc -g -o $@ $< ${shell eval-pkg-config --cflags --libs\
          amns-ifort itmconstants ual-amd64_intel_12}

AMNS User Interface: Python Calls

The Python interface creates

1. Amns (class)
   1. finalize (method)
   2. get_table (method)
   3. query (method)
   4. set (method)

2. Table (class)
   1. data (method)
   2. finalize (method)
   3. query (method)
   4. set (method)

3. Reactants (class)
   1. add (method)
   2. test (method)
   3. value (method)

AMNS User Interface Example (Python)

An example of the use of the code can be found in the (python minimal example):

#! /usr/bin/env python
# -*- coding: utf-8 -*-
import amns
import numpy as np

amnsdb = amns.Amns()
r = amns.Reactants()
r.add(6,1,12)
r.add(1,0,2)
r.add(6,0,12,lr=1)
r.add(1,1,2,lr=1)
table = amnsdb.get_table("CX", r)
print "table.no_of_reactants", table.no_of_reactants
print table.data(np.array([100.0]), np.array([1e20]))
amnsdb.finalize()