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more tests for expressions and vector style variables

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This commit is contained in:
Axel Kohlmeyer
2021-03-24 18:02:30 -04:00
parent 55b0e33200
commit d04d326413
1 changed files with 53 additions and 15 deletions
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68
unittest/commands/test_variables.cpp
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@ -165,7 +165,7 @@ TEST_F(VariableTest, CreateDelete)
command("variable six world one");
command("variable seven format two \"%5.2f\"");
command("variable eight getenv PWD");
command("variable eight getenv HOME");
command("variable eight getenv XXXXX");
command("variable nine file test_variable.file");
command("variable ten internal 1.0");
command("variable ten internal 10.0");
@ -186,6 +186,9 @@ TEST_F(VariableTest, CreateDelete)
ASSERT_THAT(variable->retrieve("five1"), StrEq("001"));
ASSERT_THAT(variable->retrieve("seven"), StrEq(" 2.00"));
ASSERT_THAT(variable->retrieve("ten"), StrEq("1"));
ASSERT_THAT(variable->retrieve("eight"), StrEq(""));
variable->internal_set(variable->find("ten"), 2.5);
ASSERT_THAT(variable->retrieve("ten"), StrEq("2.5"));
ASSERT_EQ(variable->equalstyle(variable->find("one")), 0);
ASSERT_EQ(variable->equalstyle(variable->find("two")), 1);
@ -220,6 +223,10 @@ TEST_F(VariableTest, CreateDelete)
command("variable ten11 format two \"%08f\""););
TEST_FAILURE(".*ERROR: Variable name 'ten@12' must have only alphanumeric characters or.*",
command("variable ten@12 index one two three"););
TEST_FAILURE(".*ERROR: Variable evaluation before simulation box is defined.*",
variable->compute_equal("c_thermo_press"););
TEST_FAILURE(".*ERROR: Invalid variable reference v_unknown in variable formula.*",
variable->compute_equal("v_unknown"););
}
TEST_F(VariableTest, AtomicSystem)
@ -233,16 +240,29 @@ TEST_F(VariableTest, AtomicSystem)
command("variable id atom type");
command("variable id atom id");
command("variable ten atomfile test_variable.atomfile");
command("compute press all pressure NULL pair");
command("fix press all ave/time 1 1 1 c_press mode vector");
command("variable press vector f_press");
command("variable press vector f_press+vol");
command("variable pmax equal max(v_press)");
command("variable psum equal sum(v_press)");
command("run 0 post no");
command("compute press all pressure NULL pair");
command("compute rg all gyration");
command("compute vacf all vacf");
command("fix press all ave/time 1 1 1 c_press mode vector");
command("fix rg all ave/time 1 1 1 c_rg mode vector");
command("fix vacf all ave/time 1 1 1 c_vacf mode vector");
command("variable press vector f_press");
command("variable rg vector f_rg");
command("variable vacf vector f_vacf");
command("variable press vector f_press+0.0");
command("variable self vector v_self+f_press");
command("variable circle vector f_press+v_circle");
command("variable sum vector v_press+v_rg");
command("variable sum2 vector v_vacf+v_rg");
command("variable pmax equal max(v_press)");
command("variable psum equal sum(v_press)");
command("variable rgmax equal max(v_rg)");
command("variable rgsum equal sum(v_rg)");
command("variable loop equal v_loop+1");
command("run 0 post no");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(variable->nvar, 7);
ASSERT_EQ(variable->atomstyle(variable->find("one")), 0);
ASSERT_EQ(variable->atomstyle(variable->find("id")), 1);
@ -251,8 +271,11 @@ TEST_F(VariableTest, AtomicSystem)
ASSERT_EQ(variable->vectorstyle(variable->find("one")), 0);
ASSERT_EQ(variable->vectorstyle(variable->find("press")), 1);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_pmax"), 64.0);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_psum"), 6 * 64.0);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_pmax"), 0.0);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_psum"), 0.0);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_rgmax"), 1.25);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_rgsum"), 3.75);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_sum[1]"), 1.25);
TEST_FAILURE(".*ERROR: Cannot redefine variable as a different style.*",
command("variable one atom x"););
@ -260,12 +283,17 @@ TEST_F(VariableTest, AtomicSystem)
command("variable one vector f_press"););
TEST_FAILURE(".*ERROR on proc 0: Cannot open file variable file test_variable.xxx.*",
command("variable ten1 atomfile test_variable.xxx"););
TEST_FAILURE(".*ERROR: Variable loop: has a circular dependency.*",
variable->compute_equal("v_loop"););
TEST_FAILURE(".*Variable self: Vector-style variable in equal-style variable formula.*",
variable->compute_equal("v_self"););
TEST_FAILURE(".*ERROR: Variable sum2: Inconsistent lengths in vector-style variable.*",
variable->compute_equal("max(v_sum2)"););
}
TEST_F(VariableTest, Expressions)
{
atomic_system();
ASSERT_EQ(variable->nvar, 1);
if (!verbose) ::testing::internal::CaptureStdout();
command("variable one index 1");
command("variable two equal 2");
@ -286,9 +314,13 @@ TEST_F(VariableTest, Expressions)
command("variable ten7 equal !(1<v_two)");
command("variable ten8 equal 1|^0");
command("variable ten9 equal v_one-v_ten9");
command("variable ten10 internal 100.0");
command("variable ten11 equal (1!=1)+(2<1)+(2<=1)+(1>2)+(1>=2)+(1&&0)+(0||0)+(1|^1)+10^0");
command("variable err1 equal v_one/v_ten7");
command("variable err2 equal v_one%v_ten7");
command("variable err3 equal v_ten7^-v_one");
variable->set("dummy index 1 2");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(variable->nvar, 21);
int ivar = variable->find("one");
ASSERT_FALSE(variable->equalstyle(ivar));
@ -310,11 +342,19 @@ TEST_F(VariableTest, Expressions)
ASSERT_DOUBLE_EQ(variable->compute_equal("v_ten6"), 1);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_ten7"), 0);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_ten8"), 1);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_ten10"), 100);
ASSERT_DOUBLE_EQ(variable->compute_equal("v_ten11"), 1);
TEST_FAILURE(".*ERROR: Variable six: Invalid thermo keyword 'XXX' in variable formula.*",
command("print \"${six}\""););
TEST_FAILURE(".*ERROR: Variable ten9: has a circular dependency.*",
command("print \"${ten9}\""););
TEST_FAILURE(".*ERROR on proc 0: Variable err1: Divide by 0 in variable formula.*",
command("print \"${err1}\""););
TEST_FAILURE(".*ERROR on proc 0: Variable err2: Modulo 0 in variable formula.*",
command("print \"${err2}\""););
TEST_FAILURE(".*ERROR on proc 0: Variable err3: Invalid power expression in variable formula.*",
command("print \"${err3}\""););
}
TEST_F(VariableTest, Functions)
@ -322,14 +362,12 @@ TEST_F(VariableTest, Functions)
atomic_system();
file_vars();
ASSERT_EQ(variable->nvar, 1);
if (!verbose) ::testing::internal::CaptureStdout();
command("variable one index 1");
command("variable two equal random(1,2,643532)");
command("variable three equal atan2(v_one,1)");
command("variable four equal atan2()");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(variable->nvar, 5);
int ivar = variable->find("two");
ASSERT_GT(variable->compute_equal(ivar), 0.99);