1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
|
#include "gtest/gtest.h"
#include "ecp.hpp"
#include <iostream>
using namespace libecpint;
#ifdef HAS_PUGIXML
class ECPBasisTest : public testing::Test {
protected:
ECPBasis basis;
void SetUp() override {
// load in ECP for silicon
basis.addECP_from_file(14, {0.0, -0.5, 0.5}, "testbasis.xml");
}
};
TEST_F(ECPBasisTest, NMaxL) {
EXPECT_EQ(basis.getMaxL(), 2);
EXPECT_EQ(basis.getN(), 1);
}
TEST_F(ECPBasisTest, ECPCore) {
EXPECT_EQ(basis.getECPCore(14), 10);
EXPECT_EQ(basis.getECPCore(33), 0);
}
TEST_F(ECPBasisTest, AddFromFile) {
basis.addECP_from_file(33, {0.0, -0.5, 2.4}, "testbasis.xml");
EXPECT_EQ(basis.getMaxL(), 3);
EXPECT_EQ(basis.getN(), 2);
EXPECT_EQ(basis.getECPCore(33), 28);
}
#endif
|
