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Merge pull request #726 from pxlxingliang/develop
test: add the unit test and comments for math_polyint.h
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‎source/module_base/math_polyint.h‎

Lines changed: 61 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -18,6 +18,19 @@ class PolyInt
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//========================================================
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// Polynomial_Interpolation
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//========================================================
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/**
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* @brief Lagrange interpolation
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*
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* @param table [in] three dimension matrix, the data in 3rd dimension is used to do prediction
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* @param dim1 [in] index of 1st dimension of table/y
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* @param dim2 [in] index of 2nd dimension of table/y
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* @param y [out] three dimension matrix to store the predicted value
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* @param dim_y [in] index of 3rd dimension of y to store predicted value
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* @param table_length [in] length of 3rd dimension of table
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* @param table_interval [in] interval of 3rd dimension of table
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* @param x [in] the position in 3rd dimension to be predicted
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*/
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static void Polynomial_Interpolation
2235
(
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const ModuleBase::realArray &table,
@@ -30,41 +43,84 @@ class PolyInt
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const double &x
3144
);
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/**
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* @brief Lagrange interpolation
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*
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* @param table [in] three dimension matrix, the data in 3rd dimension is used to do prediction
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* @param dim1 [in] index of 1st dimension of table
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* @param dim2 [in] index of 2nd dimension of table
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* @param table_length [in] length of 3rd dimension of table
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* @param table_interval [in] interval of 3rd dimension of table
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* @param x [in] the position in 3rd dimension to be predicted
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* @return double the predicted value
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*/
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static double Polynomial_Interpolation
3458
(
3559
const ModuleBase::realArray &table,
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const int &dim1,
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const int &dim2,
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const int &table_length,
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const double &table_interval,
40-
const double &x // input value
64+
const double &x
4165
);
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43-
static double Polynomial_Interpolation // pengfei Li 2018-3-23
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/**
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* @brief Lagrange interpolation
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*
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* @param table [in] four dimension matrix, the data in 4th dimension is used to do prediction
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* @param dim1 [in] index of 1st dimension of table
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* @param dim2 [in] index of 2nd dimension of table
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* @param dim3 [in] index of 3rd dimension of table
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* @param table_length [in] length of 4th dimension of table
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* @param table_interval [in] interval of 4th dimension of table
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* @param x [in] the position in 4th dimension to be predicted
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* @return double the predicted value
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* @author pengfei Li
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* @date 2018-3-23
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*/
81+
static double Polynomial_Interpolation
4482
(
4583
const ModuleBase::realArray &table,
4684
const int &dim1,
4785
const int &dim2,
4886
const int &dim3,
4987
const int &table_length,
5088
const double &table_interval,
51-
const double &x // input value
89+
const double &x
5290
);
5391

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/**
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* @brief Lagrange interpolation
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*
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* @param table [in] the data used to do prediction
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* @param table_length [in] length of table
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* @param table_interval [in] interval of table
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* @param x [in] the position to be predicted
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* @return double the predicted value
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*/
54101
static double Polynomial_Interpolation
55102
(
56103
const double *table,
57104
const int &table_length,
58105
const double &table_interval,
59-
const double &x // input value
106+
const double &x
60107
);
61108

109+
/**
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* @brief Lagrange interpolation
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*
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* @param xpoint [in] array of postion
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* @param ypoint [in] array of data to do prediction
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* @param table_length [in] length of xpoint
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* @param x [in] position to be predicted
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* @return double predicted value
117+
*/
62118
static double Polynomial_Interpolation_xy
63119
(
64120
const double *xpoint,
65121
const double *ypoint,
66122
const int table_length,
67-
const double &x // input value
123+
const double &x
68124
);
69125

70126
};

‎source/module_base/test/CMakeLists.txt‎

Lines changed: 4 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -67,4 +67,8 @@ AddTest(
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TARGET base_mathzone
6868
LIBS ${math_libs}
6969
SOURCES mathzone_test.cpp ../mathzone.cpp ../matrix3.cpp ../matrix.cpp ../tool_quit.cpp ../global_variable.cpp ../global_file.cpp ../memory.cpp ../timer.cpp
70+
)
71+
AddTest(
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TARGET base_math_polyint
73+
SOURCES math_polyint_test.cpp ../math_polyint.cpp ../realarray.cpp ../timer.cpp
7074
)

‎source/module_base/test/math_polyint_test.cpp‎

Lines changed: 136 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,136 @@
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#include"../math_polyint.h"
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#include"gtest/gtest.h"
3+
#include"../realarray.h"
4+
#include<math.h>
5+
6+
#define doublethreshold 1e-9
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8+
/************************************************
9+
* unit test of class PolyInt
10+
***********************************************/
11+
12+
/**
13+
* This unit test is to verify the accuracy of
14+
* interpolation method on the function sin(x)/x
15+
* with a interval of 0.01.
16+
* sin(x)/x is one of the solution of spherical bessel
17+
* function when l=0.
18+
*
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* - Tested function:
20+
* - 4 types of Polynomial_Interpolation
21+
* - Polynomial_Interpolation_xy
22+
*/
23+
24+
25+
class bessell0 : public testing::Test
26+
{
27+
protected:
28+
29+
int TableLength = 400;
30+
double interval = 0.01;
31+
ModuleBase::realArray table3,table4;
32+
ModuleBase::realArray y3;
33+
double *tablex;
34+
double *tabley;
35+
36+
double sinc(double x) {return sin(x)/x;}
37+
38+
void SetUp()
39+
{
40+
tablex = new double[TableLength];
41+
tabley = new double[TableLength];
42+
table3.create(1,1,TableLength);
43+
table4.create(1,1,1,TableLength);
44+
y3.create(1,1,TableLength);
45+
46+
for(int i=1;i<TableLength;++i)
47+
{
48+
table3(0,0,i) = sinc(i * interval);
49+
table4(0,0,0,i) = sinc(i * interval);
50+
tablex[i] = i * interval;
51+
tabley[i] = sinc(i * interval);
52+
}
53+
}
54+
55+
void TearDown()
56+
{
57+
delete [] tablex;
58+
delete [] tabley;
59+
}
60+
};
61+
62+
63+
TEST_F(bessell0,PolynomialInterpolationThreeDimensionY)
64+
{
65+
ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,y3,1,TableLength,interval,0.1);
66+
ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,y3,2,TableLength,interval,1.005);
67+
ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,y3,3,TableLength,interval,2.005);
68+
ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,y3,4,TableLength,interval,3.005);
69+
ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,y3,5,TableLength,interval,3.505);
70+
71+
EXPECT_NEAR(y3(0,0,1),sinc(0.1),doublethreshold);
72+
EXPECT_NEAR(y3(0,0,2),sinc(1.005),doublethreshold);
73+
EXPECT_NEAR(y3(0,0,3),sinc(2.005),doublethreshold);
74+
EXPECT_NEAR(y3(0,0,4),sinc(3.005),doublethreshold);
75+
EXPECT_NEAR(y3(0,0,5),sinc(3.505),doublethreshold);
76+
}
77+
78+
TEST_F(bessell0,PolynomialInterpolationThreeDimension)
79+
{
80+
double y1 = ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,TableLength,interval,0.1);
81+
double y2 = ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,TableLength,interval,1.005);
82+
double y3 = ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,TableLength,interval,2.005);
83+
double y4 = ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,TableLength,interval,3.005);
84+
double y5 = ModuleBase::PolyInt::Polynomial_Interpolation(table3,0,0,TableLength,interval,3.505);
85+
86+
EXPECT_NEAR(y1,sinc(0.1),doublethreshold);
87+
EXPECT_NEAR(y2,sinc(1.005),doublethreshold);
88+
EXPECT_NEAR(y3,sinc(2.005),doublethreshold);
89+
EXPECT_NEAR(y4,sinc(3.005),doublethreshold);
90+
EXPECT_NEAR(y5,sinc(3.505),doublethreshold);
91+
}
92+
93+
TEST_F(bessell0,PolynomialInterpolationFourDimension)
94+
{
95+
double y1 = ModuleBase::PolyInt::Polynomial_Interpolation(table4,0,0,0,TableLength,interval,0.1);
96+
double y2 = ModuleBase::PolyInt::Polynomial_Interpolation(table4,0,0,0,TableLength,interval,1.005);
97+
double y3 = ModuleBase::PolyInt::Polynomial_Interpolation(table4,0,0,0,TableLength,interval,2.005);
98+
double y4 = ModuleBase::PolyInt::Polynomial_Interpolation(table4,0,0,0,TableLength,interval,3.005);
99+
double y5 = ModuleBase::PolyInt::Polynomial_Interpolation(table4,0,0,0,TableLength,interval,3.505);
100+
101+
EXPECT_NEAR(y1,sinc(0.1),doublethreshold);
102+
EXPECT_NEAR(y2,sinc(1.005),doublethreshold);
103+
EXPECT_NEAR(y3,sinc(2.005),doublethreshold);
104+
EXPECT_NEAR(y4,sinc(3.005),doublethreshold);
105+
EXPECT_NEAR(y5,sinc(3.505),doublethreshold);
106+
}
107+
108+
TEST_F(bessell0,PolynomialInterpolation)
109+
{
110+
double y1 = ModuleBase::PolyInt::Polynomial_Interpolation(tabley,TableLength,interval,0.1);
111+
double y2 = ModuleBase::PolyInt::Polynomial_Interpolation(tabley,TableLength,interval,1.005);
112+
double y3 = ModuleBase::PolyInt::Polynomial_Interpolation(tabley,TableLength,interval,2.005);
113+
double y4 = ModuleBase::PolyInt::Polynomial_Interpolation(tabley,TableLength,interval,3.005);
114+
double y5 = ModuleBase::PolyInt::Polynomial_Interpolation(tabley,TableLength,interval,3.505);
115+
116+
EXPECT_NEAR(y1,sinc(0.1),doublethreshold);
117+
EXPECT_NEAR(y2,sinc(1.005),doublethreshold);
118+
EXPECT_NEAR(y3,sinc(2.005),doublethreshold);
119+
EXPECT_NEAR(y4,sinc(3.005),doublethreshold);
120+
EXPECT_NEAR(y5,sinc(3.505),doublethreshold);
121+
}
122+
123+
TEST_F(bessell0,PolynomialInterpolationXY)
124+
{
125+
double y1 = ModuleBase::PolyInt::Polynomial_Interpolation_xy(tablex,tabley,TableLength,0.1);
126+
double y2 = ModuleBase::PolyInt::Polynomial_Interpolation_xy(tablex,tabley,TableLength,1.005);
127+
double y3 = ModuleBase::PolyInt::Polynomial_Interpolation_xy(tablex,tabley,TableLength,2.005);
128+
double y4 = ModuleBase::PolyInt::Polynomial_Interpolation_xy(tablex,tabley,TableLength,3.005);
129+
double y5 = ModuleBase::PolyInt::Polynomial_Interpolation_xy(tablex,tabley,TableLength,3.505);
130+
131+
EXPECT_NEAR(y1,sinc(0.1),doublethreshold);
132+
EXPECT_NEAR(y2,sinc(1.005),doublethreshold);
133+
EXPECT_NEAR(y3,sinc(2.005),doublethreshold);
134+
EXPECT_NEAR(y4,sinc(3.005),doublethreshold);
135+
EXPECT_NEAR(y5,sinc(3.505),doublethreshold);
136+
}

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