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fixup broken unit tests

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This commit is contained in:
Axel Kohlmeyer
2023-05-04 20:09:57 -04:00
parent 0c10184a69
commit 67b6a1de70
2 changed files with 5 additions and 5 deletions
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4
src/variable.cpp
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@ -4094,11 +4094,11 @@ int Variable::special_function(char *word, char *contents, Tree **tree, Tree **t
} else if (kind == "improper") { } else if (kind == "improper") {
value = atom->lmap->find(typestr,Atom::IMPROPER); value = atom->lmap->find(typestr,Atom::IMPROPER);
} else { } else {
print_var_error(FLERR, fmt::format("Invalid kind {} in label2type in variable",kind), ivar); print_var_error(FLERR, fmt::format("Invalid kind {} in label2type() in variable",kind),ivar);
} }
if (value == -1) if (value == -1)
print_var_error(FLERR, fmt::format("Invalid {} type label {} in label2type in variable", print_var_error(FLERR, fmt::format("Invalid {} type label {} in label2type() in variable",
kind, typestr), ivar); kind, typestr), ivar);
// save value in tree or on argstack // save value in tree or on argstack

6
unittest/commands/test_variables.cpp
View File

@ -402,7 +402,7 @@ TEST_F(VariableTest, Functions)
command("print \"$(extract_setting()\"");); command("print \"$(extract_setting()\""););
TEST_FAILURE(".*ERROR on proc 0: Invalid immediate variable.*", TEST_FAILURE(".*ERROR on proc 0: Invalid immediate variable.*",
command("print \"$(extract_setting()\"");); command("print \"$(extract_setting()\""););
TEST_FAILURE(".*ERROR: Invalid extract_setting.. function syntax in variable formula.*", TEST_FAILURE(".*ERROR: Invalid extract_setting.. function in variable formula.*",
command("print \"$(extract_setting(one,two))\"");); command("print \"$(extract_setting(one,two))\""););
TEST_FAILURE( TEST_FAILURE(
".*ERROR: Unknown setting nprocs for extract_setting.. function in variable formula.*", ".*ERROR: Unknown setting nprocs for extract_setting.. function in variable formula.*",
@ -599,9 +599,9 @@ TEST_F(VariableTest, Label2TypeAtomic)
ASSERT_DOUBLE_EQ(variable->compute_equal("label2type(atom,O1)"), 3.0); ASSERT_DOUBLE_EQ(variable->compute_equal("label2type(atom,O1)"), 3.0);
ASSERT_DOUBLE_EQ(variable->compute_equal("label2type(atom,H1)"), 4.0); ASSERT_DOUBLE_EQ(variable->compute_equal("label2type(atom,H1)"), 4.0);
TEST_FAILURE(".*ERROR: Variable t1: Invalid atom type label C1 in variable formula.*", TEST_FAILURE(".*ERROR: Variable t1: Invalid atom type label C1 in label2type.. in variable.*",
command("print \"${t1}\"");); command("print \"${t1}\""););
TEST_FAILURE(".*ERROR: Invalid bond type label H1 in variable formula.*", TEST_FAILURE(".*ERROR: Invalid bond type label H1 in label2type.. in variable.*",
variable->compute_equal("label2type(bond,H1)");); variable->compute_equal("label2type(bond,H1)"););
} }