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new special variable function is_timeout()

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This commit is contained in:
Axel Kohlmeyer
2024-06-29 04:02:33 -04:00
parent 246698d3c2
commit 6ad0145709
2 changed files with 36 additions and 5 deletions
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18
doc/src/variable.rst
View File

@ -67,7 +67,7 @@ Syntax
bound(group,dir,region), gyration(group,region), ke(group,reigon),
angmom(group,dim,region), torque(group,dim,region),
inertia(group,dimdim,region), omega(group,dim,region)
special functions = sum(x), min(x), max(x), ave(x), trap(x), slope(x), sort(x), rsort(x), gmask(x), rmask(x), grmask(x,y), next(x), is_file(name), is_os(name), extract_setting(name), label2type(kind,label), is_typelabel(kind,label)
special functions = sum(x), min(x), max(x), ave(x), trap(x), slope(x), sort(x), rsort(x), gmask(x), rmask(x), grmask(x,y), next(x), is_file(name), is_os(name), extract_setting(name), label2type(kind,label), is_typelabel(kind,label), is_timeout()
feature functions = is_available(category,feature), is_active(category,feature), is_defined(category,id)
atom value = id[i], mass[i], type[i], mol[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i], q[i]
atom vector = id, mass, type, mol, radius, q, x, y, z, vx, vy, vz, fx, fy, fz
@ -547,7 +547,7 @@ variables.
+------------------------+---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Region functions | count(ID,IDR), mass(ID,IDR), charge(ID,IDR), xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), angmom(ID,dim,IDR), torque(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR) |
+------------------------+---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Special functions | sum(x), min(x), max(x), ave(x), trap(x), slope(x), sort(x), rsort(x), gmask(x), rmask(x), grmask(x,y), next(x), is_file(name), is_os(name), extract_setting(name), label2type(kind,label), is_typelabel(kind,label) |
| Special functions | sum(x), min(x), max(x), ave(x), trap(x), slope(x), sort(x), rsort(x), gmask(x), rmask(x), grmask(x,y), next(x), is_file(name), is_os(name), extract_setting(name), label2type(kind,label), is_typelabel(kind,label), is_timeout() |
+------------------------+---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Feature functions | is_available(category,feature), is_active(category,feature), is_defined(category,id) |
+------------------------+---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
@ -1042,6 +1042,20 @@ label2type(), but returns 1 if the type label has been assigned,
otherwise it returns 0. This function can be used to check if a
particular type label already exists in the simulation.
.. versionadded:: TBD
The is_timeout() function returns 1 when the :doc:`timer timeout
<timer>` has expired otherwise it returns 0. This function can be used
to check inputs in combination with the :doc:`if command <if>` to
execute commands after the timer has expired. Example:
.. code-block:: LAMMPS
variable timeout equal is_timeout()
timer timeout 0:10:00 every 10
run 10000
if ${timeout} then "print 'Timer has expired'"
----------
Feature Functions

23
src/variable.cpp
View File

@ -34,6 +34,7 @@
#include "random_mars.h"
#include "region.h"
#include "thermo.h"
#include "timer.h"
#include "tokenizer.h"
#include "universe.h"
#include "update.h"
@ -4276,8 +4277,9 @@ Region *Variable::region_function(char *id, int ivar)
return 0 if not a match, 1 if successfully processed
customize by adding a special function:
sum(x),min(x),max(x),ave(x),trap(x),slope(x),
gmask(x),rmask(x),grmask(x,y),next(x),is_file(x),is_ox(x),
extract_setting(x),label2type(x,y),is_typelabel(x,y)
gmask(x),rmask(x),grmask(x,y),next(x),is_file(x),is_os(x),
extract_setting(x),label2type(x,y),is_tpelabel(x,y)
is_timeout()
------------------------------------------------------------------------- */
// to simplify finding matches and assigning constants for functions operating on vectors
@ -4286,7 +4288,7 @@ static const std::unordered_map<std::string,int> special_function_map = {
{"sum", SUM}, {"min", XMIN}, {"max", XMAX}, {"ave", AVE}, {"trap", TRAP}, {"slope", SLOPE},
{"sort", SORT}, {"rsort", RSORT}, {"gmask", NOVECTOR}, {"rmask", NOVECTOR}, {"grmask", NOVECTOR},
{"next", NOVECTOR}, {"is_file", NOVECTOR}, {"is_os", NOVECTOR}, {"extract_setting", NOVECTOR},
{"label2type", NOVECTOR}, {"is_typelabel", NOVECTOR} };
{"label2type", NOVECTOR}, {"is_typelabel", NOVECTOR}, {"is_timeout", NOVECTOR} };
int Variable::special_function(const std::string &word, char *contents, Tree **tree,
Tree **treestack, int &ntreestack, double *argstack,
@ -4765,6 +4767,21 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
newtree->value = value;
treestack[ntreestack++] = newtree;
} else argstack[nargstack++] = value;
} else if (word == "is_timeout") {
if ((narg != 1) || (std::string(args[0]).size() != 0))
print_var_error(FLERR,"Invalid is_timeout() function in variable formula",ivar);
value = timer->is_timeout() ? 1.0 : 0.0;
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
} else argstack[nargstack++] = value;
}
// delete stored args