ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

add library interface to Variable::internal_set()

Browse Source
This commit is contained in:
Axel Kohlmeyer
2024-01-24 03:51:18 -05:00
parent 54794a45de
commit c7a3571974
7 changed files with 200 additions and 17 deletions
Download Patch File Download Diff File Expand all files Collapse all files

81
src/library.cpp
View File

@ -2451,19 +2451,59 @@ int lammps_extract_variable_datatype(void *handle, const char *name)
}
/* ---------------------------------------------------------------------- */
// for printing obsolete function call warning only once
static int set_variable_deprecated_flag = 1;
/** Set the value of a string-style variable.
*
* This function assigns a new value from the string str to the
* string-style variable name. Returns -1 if a variable of that
* name does not exist or is not a string-style variable, otherwise 0.
*
\verbatim embed:rst
.. deprecated:: TBD
This function assigns a new value from the string str to the
string-style variable *name*. Returns -1 if a variable of that
name does not exist or is not a string-style variable, otherwise 0.
.. warning::
This function is deprecated and :cpp:func:`lammps_set_string_variable`
should be used instead.
\endverbatim
* \param handle pointer to a previously created LAMMPS instance
* \param name name of the variable
* \param str new value of the variable
* \return 0 on success or -1 on failure */
int lammps_set_variable(void *handle, const char *name, const char *str)
{
if (set_variable_deprecated_flag) {
fprintf(stderr,"Using the 'lammps_set_variable()' function is deprecated. "
"Please use 'lammps_set_string_variable()' instead.\n");
set_variable_deprecated_flag = 0;
}
return lammps_set_string_variable(handle, name, str);
}
/* ---------------------------------------------------------------------- */
/** Set the value of a string-style variable.
\verbatim embed:rst
.. versionadded:: TBD
This function assigns a new value from the string str to the
string-style variable *name*. Returns -1 if a variable of that
name does not exist or is not a string-style variable, otherwise 0.
\endverbatim
* \param handle pointer to a previously created LAMMPS instance
* \param name name of the variable
* \param str new value of the variable
* \return 0 on success or -1 on failure
*/
int lammps_set_variable(void *handle, char *name, char *str)
int lammps_set_string_variable(void *handle, const char *name, const char *str)
{
auto lmp = (LAMMPS *) handle;
int err = -1;
@ -2477,6 +2517,35 @@ int lammps_set_variable(void *handle, char *name, char *str)
return err;
}
/* ---------------------------------------------------------------------- */
/** Set the value of an internal-style variable.
*
* This function assigns a new value value to an internal-style variable.
* Returns -1 if a variable of that name does not exist or is not an
* internal-style variable, otherwise 0.
*
* \param handle pointer to a previously created LAMMPS instance
* \param name name of the variable
* \param value new value of the variable
* \return 0 on success or -1 on failure
*/
int lammps_set_internal_variable(void *handle, const char *name, double value)
{
auto lmp = (LAMMPS *) handle;
BEGIN_CAPTURE
{
int ivar = lmp->input->variable->find(name);
if (ivar < 0) return -1;
if (lmp->input->variable->internalstyle(ivar)) {
lmp->input->variable->internal_set(ivar, value);
return 0;
}
}
END_CAPTURE
return -1;
}
/* ---------------------------------------------------------------------- */