dtgrid_wrapper.cpp File Reference

Wrapper for linking C++ and Fortran functions. More...

#include <stdlib.h>
#include <stdint.h>
#include <iostream>
#include <fstream>
#include <typeinfo>
#include "./tools/DT-Grid/datastructures/DTGrid3D.hpp"
#include "./tools/DT-Grid/datastructures/DTGrid3Dex.hpp"

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Enumerations
enum	grid_type_enum { double_type = 1 , logical_type = 2 }

Functions
int	associate_grid_ (intptr_t **grdptr, char *file_name, double *scfct_f, int *grid_type)
	Associate the pointer received from SDA code to a DT-Grid pointer.
int	deallocate_grid_ (intptr_t *grdptr, int *grid_type)
	Deallocator for the DT-Grid object.
int	access_ (intptr_t *grdptr, int *i, int *j, int *k, double *value)
	Random access to grid points stored in a data grid.
int	access_voxel_ (intptr_t *grdptr, int *i, int *j, int *k, double *voxel)
	Random access to grid points stored in an excluded-volume grid.
int	access_exclusion_ (intptr_t *grdptr, int *i, int *j, int *k, bool *b_value)
	Random access to grid cells stored in a data grid.
int	access_voxel_exclusion_ (intptr_t *grdptr, int *i, int *j, int *k, bool *b_voxel)
	Random access to grid cells stored in an excluded-volume grid.

Detailed Description

Wrapper for linking C++ and Fortran functions.

Author

Musa Ozboyaci

Copyright

Heidelberg Institute for Theoretical Studies (HITS) 2016

C++ wrapper for DT-GRID functions to call from SDA code

Enumeration Type Documentation

grid_type_enum

enum grid_type_enum

Enumerator
double_type
logical_type

Function Documentation

access_()

int access_	(	intptr_t *	grdptr,
		int *	i,
		int *	j,
		int *	k,
		double *	value
	)

Random access to grid points stored in a data grid.

Parameters

grdptr	the address that stores the pointer of a DT-Grid object
i	grid point coordinate 'i'
j	grid point coordinate 'j'
k	grid point coordinate 'k'
value	pointer to copy the grid point value into

Warning

In fortran, array indexing starts from 1, in C/C++ from 0!

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access_exclusion_()

int access_exclusion_	(	intptr_t *	grdptr,
		int *	i,
		int *	j,
		int *	k,
		bool *	b_value
	)

Random access to grid cells stored in a data grid.

Parameters

grdptr	the address that stores the pointer of a DT-Grid object
i	grid cell origin coordinate 'i'
j	grid cell origin coordinate 'j'
k	grid cell origin coordinate 'k'
b_voxel	pointer to a unit cell to copy the grid cell values into

Warning

In fortran, array indexing starts from 1, in C/C++ from 0!

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access_voxel_()

int access_voxel_	(	intptr_t *	grdptr,
		int *	i,
		int *	j,
		int *	k,
		double *	voxel
	)

Random access to grid points stored in an excluded-volume grid.

Parameters

grdptr	the address that stores the pointer of a DT-Grid object
i	grid point coordinate 'i'
j	grid point coordinate 'j'
k	grid point coordinate 'k'
value	pointer to copy the grid point value into

Warning

In fortran, array indexing starts from 1, in C/C++ from 0!

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access_voxel_exclusion_()

int access_voxel_exclusion_	(	intptr_t *	grdptr,
		int *	i,
		int *	j,
		int *	k,
		bool *	b_voxel
	)

Random access to grid cells stored in an excluded-volume grid.

Parameters

grdptr	the address that stores the pointer of a DT-Grid object
i	grid cell origin coordinate 'i'
j	grid cell origin coordinate 'j'
k	grid cell origin coordinate 'k'
b_voxel	pointer to a unit cell to copy the grid cell values into

Warning

In fortran, array indexing starts from 1, in C/C++ from 0!

Here is the call graph for this function:

associate_grid_()

int associate_grid_	(	intptr_t **	grdptr,
		char *	file_name,
		double *	scfct_f,
		int *	grid_type
	)

Associate the pointer received from SDA code to a DT-Grid pointer.

This function is called from mod_grid.f90 and associates a DT-Grid object (created and allocated inside) with the pointer address provided by the fortran module.

Parameters

grdptr	the address that stores the pointer of a DT-Grid object and will be known by the fortran modules
file_name	the name of the UHBD file input to SDA.
scfct_f	the scaling factor from the SDA code.
grid_type	type of grid: excluded-volume or data. 1 for data, 2 for excluded-volume (or other logical type) grids

deallocate_grid_()

int deallocate_grid_	(	intptr_t *	grdptr,
		int *	grid_type
	)

Deallocator for the DT-Grid object.

This function is called from mod_grid.f90 and will deallocate the associated DT-Grid object accessible with the pointer given.

Parameters

grdptr	the address that stores the pointer of a DT-Grid object
grid_type	type of grid: excluded-volume or data