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add is_file() special variable function and unit tests for it

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This commit is contained in:
Axel Kohlmeyer
2021-04-02 12:07:43 -04:00
parent c3eb52f46a
commit 2dfafe4adb
3 changed files with 39 additions and 7 deletions
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8
doc/src/variable.rst
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@ -65,8 +65,8 @@ 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), gmask(x), rmask(x), grmask(x,y), next(x)
feature functions = is_active(category,feature,exact), is_defined(category,id,exact)
special functions = sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x), is_file(name)
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, x, y, z, vx, vy, vz, fx, fy, fz, q
compute references = c_ID, c_ID[i], c_ID[i][j], C_ID, C_ID[i]
@ -821,6 +821,10 @@ Special Functions
Special functions take specific kinds of arguments, meaning their
arguments cannot be formulas themselves.
The is_file(x) function is a test whether 'x' is a (readable) file
and returns 1 in this case, otherwise it returns 0. For that 'x'
is taken as a literal string and must not have any blanks in it.
The sum(x), min(x), max(x), ave(x), trap(x), and slope(x) functions
each take 1 argument which is of the form "c_ID" or "c_ID[N]" or
"f_ID" or "f_ID[N]" or "v_name". The first two are computes and the

24
src/variable.cpp
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@ -65,7 +65,7 @@ enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,MODULO,UNARY,
SQRT,EXP,LN,LOG,ABS,SIN,COS,TAN,ASIN,ACOS,ATAN,ATAN2,
RANDOM,NORMAL,CEIL,FLOOR,ROUND,RAMP,STAGGER,LOGFREQ,LOGFREQ2,
LOGFREQ3,STRIDE,STRIDE2,VDISPLACE,SWIGGLE,CWIGGLE,GMASK,RMASK,
GRMASK,IS_ACTIVE,IS_DEFINED,IS_AVAILABLE,
GRMASK,IS_ACTIVE,IS_DEFINED,IS_AVAILABLE,IS_FILE,
VALUE,ATOMARRAY,TYPEARRAY,INTARRAY,BIGINTARRAY,VECTORARRAY};
// customize by adding a special function
@ -4079,7 +4079,7 @@ int Variable::special_function(char *word, char *contents, Tree **tree,
strcmp(word,"gmask") && strcmp(word,"rmask") &&
strcmp(word,"grmask") && strcmp(word,"next") &&
strcmp(word,"is_active") && strcmp(word,"is_defined") &&
strcmp(word,"is_available"))
strcmp(word,"is_available") && strcmp(word,"is_file"))
return 0;
// parse contents for comma-separated args
@ -4488,6 +4488,26 @@ int Variable::special_function(char *word, char *contents, Tree **tree,
// save value in tree or on argstack
if (tree) {
Tree *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
newtree->first = newtree->second = nullptr;
newtree->nextra = 0;
treestack[ntreestack++] = newtree;
} else argstack[nargstack++] = value;
} else if (strcmp(word,"is_file") == 0) {
if (narg != 1)
print_var_error(FLERR,"Invalid is_file() function in "
"variable formula",ivar);
FILE *fp = fopen(args[0],"r");
value = (fp == nullptr) ? 0.0 : 1.0;
if (fp) fclose(fp);
// save value in tree or on argstack
if (tree) {
Tree *newtree = new Tree();
newtree->type = VALUE;

14
unittest/commands/test_variables.cpp
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@ -142,12 +142,13 @@ TEST_F(VariableTest, CreateDelete)
command("variable ten2 uloop 4");
command("variable ten3 uloop 4 pad");
command("variable dummy index 0");
command("variable file equal is_file(MYFILE)");
END_HIDE_OUTPUT();
ASSERT_EQ(variable->nvar, 17);
ASSERT_EQ(variable->nvar, 18);
BEGIN_HIDE_OUTPUT();
command("variable dummy delete");
END_HIDE_OUTPUT();
ASSERT_EQ(variable->nvar, 16);
ASSERT_EQ(variable->nvar, 17);
ASSERT_THAT(variable->retrieve("three"), StrEq("three"));
variable->set_string("three", "four");
ASSERT_THAT(variable->retrieve("three"), StrEq("four"));
@ -158,6 +159,13 @@ TEST_F(VariableTest, CreateDelete)
ASSERT_THAT(variable->retrieve("eight"), StrEq(""));
variable->internal_set(variable->find("ten"), 2.5);
ASSERT_THAT(variable->retrieve("ten"), StrEq("2.5"));
ASSERT_THAT(variable->retrieve("file"), StrEq("0"));
FILE *fp = fopen("MYFILE","w");
fputs(" ",fp);
fclose(fp);
ASSERT_THAT(variable->retrieve("file"), StrEq("1"));
unlink("MYFILE");
ASSERT_THAT(variable->retrieve("file"), StrEq("0"));
ASSERT_EQ(variable->equalstyle(variable->find("one")), 0);
ASSERT_EQ(variable->equalstyle(variable->find("two")), 1);
@ -200,7 +208,7 @@ TEST_F(VariableTest, CreateDelete)
TEST_F(VariableTest, AtomicSystem)
{
command("atom_modify map array");
HIDE_OUTPUT([&] { command("atom_modify map array"); });
atomic_system();
file_vars();