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

add test for ellipsoid, check for special case of ellipsoid/prism

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-05-03 11:02:01 -04:00
parent bd5858019e
commit 257a070666
2 changed files with 44 additions and 5 deletions
Download Patch File Download Diff File Expand all files Collapse all files

47
unittest/commands/test_regions.cpp
View File

@ -76,9 +76,10 @@ TEST_F(RegionTest, NoBox)
command("region reg5 sphere 0 0 0 1");
command("region reg6 union 3 reg1 reg2 reg3");
command("region reg7 intersect 3 reg1 reg2 reg4");
command("region reg8 ellipsoid 0 0 0 2 1 2");
END_HIDE_OUTPUT();
list = domain->get_region_list();
EXPECT_EQ(list.size(), 7);
EXPECT_EQ(list.size(), 8);
auto reg = domain->get_region_by_id("reg1");
EXPECT_EQ(reg->interior, 1);
@ -150,8 +151,31 @@ TEST_F(RegionTest, NoBox)
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
reg = domain->get_region_by_id("reg8");
EXPECT_EQ(reg->interior, 1);
EXPECT_EQ(reg->scaleflag, 1);
EXPECT_EQ(reg->bboxflag, 1);
EXPECT_EQ(reg->varshape, 0);
EXPECT_EQ(reg->dynamic, 0);
EXPECT_EQ(reg->moveflag, 0);
EXPECT_EQ(reg->rotateflag, 0);
EXPECT_EQ(reg->openflag, 0);
BEGIN_HIDE_OUTPUT();
command("region reg3 delete");
command("region reg5 delete");
command("region reg6 delete");
command("region reg1 delete");
END_HIDE_OUTPUT();
list = domain->get_region_list();
EXPECT_EQ(list.size(), 4);
reg = domain->get_region_by_id("reg7");
TEST_FAILURE(".*ERROR: Region intersect region reg1 does not exist.*", reg->init(););
TEST_FAILURE(".*ERROR: Unrecognized region style 'xxx'.*", command("region new1 xxx"););
TEST_FAILURE(".*ERROR: Illegal region command.*", command("region new1 block 0 1"););
TEST_FAILURE(".*ERROR: Delete region reg3 does not exist.*", command("region reg3 delete"););
}
TEST_F(RegionTest, Counts)
@ -163,9 +187,12 @@ TEST_F(RegionTest, Counts)
command("region reg2 cone y 0 0 10 0 -5 5 units box");
command("region reg3 plane 0 0 0 0 1 0 side out");
command("region reg4 prism -5 5 -5 5 -5 5 0.1 0.2 0.3 units box");
command("region reg5 sphere 0 0 0 6");
command("region reg5 sphere 1 0 0 6");
command("region reg6 union 3 reg1 reg2 reg3");
command("region reg7 intersect 3 reg1 reg2 reg4");
command("region reg8 ellipsoid 0 0 0 5 2 3");
command("region reg9 ellipsoid 1 0 0 6 6 6"); // same as sphere
command("region reg10 prism 0 5 0 5 -5 5 0.0 0.0 0.0"); // same as block
END_HIDE_OUTPUT();
auto x = atom->x;
@ -176,8 +203,11 @@ TEST_F(RegionTest, Counts)
auto reg5 = domain->get_region_by_id("reg5");
auto reg6 = domain->get_region_by_id("reg6");
auto reg7 = domain->get_region_by_id("reg7");
int count1, count2, count3, count4, count5, count6, count7;
count1 = count2 = count3 = count4 = count5 = count6 = count7 = 0;
auto reg8 = domain->get_region_by_id("reg8");
auto reg9 = domain->get_region_by_id("reg9");
auto reg10 = domain->get_region_by_id("reg10");
int count1, count2, count3, count4, count5, count6, count7, count8, count9, count10;
count1 = count2 = count3 = count4 = count5 = count6 = count7 = count8 = count9 = count10 = 0;
reg1->prematch();
reg2->prematch();
reg3->prematch();
@ -185,6 +215,9 @@ TEST_F(RegionTest, Counts)
reg5->prematch();
reg6->prematch();
reg7->prematch();
reg8->prematch();
reg9->prematch();
reg10->prematch();
for (int i = 0; i < atom->nlocal; ++i) {
if (reg1->match(x[i][0], x[i][1], x[i][2])) ++count1;
@ -194,6 +227,9 @@ TEST_F(RegionTest, Counts)
if (reg5->match(x[i][0], x[i][1], x[i][2])) ++count5;
if (reg6->match(x[i][0], x[i][1], x[i][2])) ++count6;
if (reg7->match(x[i][0], x[i][1], x[i][2])) ++count7;
if (reg8->match(x[i][0], x[i][1], x[i][2])) ++count8;
if (reg9->match(x[i][0], x[i][1], x[i][2])) ++count9;
if (reg10->match(x[i][0], x[i][1], x[i][2])) ++count10;
}
EXPECT_EQ(count1, 250);
EXPECT_EQ(count2, 1132);
@ -202,6 +238,9 @@ TEST_F(RegionTest, Counts)
EXPECT_EQ(count5, 907);
EXPECT_EQ(count6, 4314);
EXPECT_EQ(count7, 86);
EXPECT_EQ(count8, 122);
EXPECT_EQ(count9, count5);
EXPECT_EQ(count10, count1);
}
} // namespace LAMMPS_NS