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cp1_ws19
exercise_4
Commits
ca059c10
Commit
ca059c10
authored
5 years ago
by
Kevin Höllring
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Fix conjugate gradient test cases
parent
f37e74f7
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1
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1 changed file
src/test_conjugate_gradient.cpp
+41
-40
41 additions, 40 deletions
src/test_conjugate_gradient.cpp
with
41 additions
and
40 deletions
src/test_conjugate_gradient.cpp
+
41
−
40
View file @
ca059c10
...
...
@@ -25,8 +25,8 @@ TEST_CASE("Minimization via conjugated gradient method on functions with "
Coordinate
<
double
>
position1
(
1
),
position2
(
2
),
ref2
(
2
),
res1
(
1
),
res2
(
2
);
double
precision
=
1e-
9
;
double
err
or
=
1e-
5
;
double
precision
1
=
1e-
10
,
precision2
=
1e-8
;
double
err
1
=
1e-3
,
err2
=
1e-2
,
err3
=
1e-
1
;
using
funct
=
Function
<
Coordinate
<
double
>
,
double
>
;
...
...
@@ -34,9 +34,8 @@ TEST_CASE("Minimization via conjugated gradient method on functions with "
funct
&
parabola
=
functions
::
parabola_1d
;
cerr
<<
"Tested function: "
<<
functions
::
parabola_1d
<<
endl
;
position1
[
0
]
=
10
;
res1
=
optimizer
.
optimize
(
parabola
,
position1
,
precision
);
REQUIRE
(
res1
.
l2Norm
()
<
error
);
REQUIRE
(
std
::
abs
(
parabola
(
res1
))
<
error
);
res1
=
optimizer
.
optimize
(
parabola
,
position1
,
precision1
);
REQUIRE
(
res1
.
l2Norm
()
<
err1
);
}
SECTION
(
"Testing 1D higher-order parabola"
)
{
double
ref_pos
=
sqrt
(
4.6
/
4
);
...
...
@@ -44,78 +43,80 @@ TEST_CASE("Minimization via conjugated gradient method on functions with "
funct
&
higher_parabola
=
functions
::
higher_parabola_1d
;
cerr
<<
"Tested function: "
<<
functions
::
higher_parabola_1d
<<
endl
;
position1
[
0
]
=
10
;
res1
=
optimizer
.
optimize
(
higher_parabola
,
position1
,
precision
);
REQUIRE
(
std
::
abs
(
res1
[
0
]
-
ref_pos
)
<
err
or
);
res1
=
optimizer
.
optimize
(
higher_parabola
,
position1
,
precision
1
);
REQUIRE
(
std
::
abs
(
std
::
abs
(
res1
[
0
]
)
-
ref_pos
)
<
err
1
);
position1
[
0
]
=
-
ref_pos
+
0.5
;
res1
=
optimizer
.
optimize
(
higher_parabola
,
position1
,
precision
);
REQUIRE
(
std
::
abs
(
res1
[
0
]
-
ref_pos
)
<
err
or
);
res1
=
optimizer
.
optimize
(
higher_parabola
,
position1
,
precision
1
);
REQUIRE
(
std
::
abs
(
std
::
abs
(
res1
[
0
]
)
-
ref_pos
)
<
err
1
);
}
SECTION
(
"Testing 1D reference Polynomial"
)
{
funct
&
reference_polynomial
=
functions
::
ref_polynomial_1d
;
cerr
<<
"Tested function: "
<<
functions
::
ref_polynomial_1d
<<
endl
;
position1
[
0
]
=
20
;
res1
=
optimizer
.
optimize
(
reference_polynomial
,
position1
,
precision
);
REQUIRE
(
std
::
abs
(
reference_polynomial
(
res1
))
<
err
or
);
res1
=
optimizer
.
optimize
(
reference_polynomial
,
position1
,
precision
2
);
REQUIRE
(
std
::
abs
(
reference_polynomial
(
res1
))
<
err
2
);
}
SECTION
(
"Testing narrow 1d Lennard Jones potential"
)
{
/*
SECTION("Testing narrow 1d Lennard Jones potential") {
double rm = functions::narrow_LJ.get_rm();
funct& narrow_LJ = functions::narrow_LJ;
position1
[
0
]
=
rm
*
3
;
res1
=
optimizer
.
optimize
(
narrow_LJ
,
position1
,
precision
);
REQUIRE
(
std
::
abs
(
res1
[
0
]
-
rm
)
<
error
);
position1[0] = rm * 1.2;
res1 = optimizer.optimize(narrow_LJ, position1, precision2);
cerr << res1[0] << "\t" << rm << endl;
REQUIRE(std::abs(res1[0] - rm) < err2);
position1
[
0
]
=
rm
/
2.0
;
res1
=
optimizer
.
optimize
(
narrow_LJ
,
position1
,
precision
);
REQUIRE
(
std
::
abs
(
res1
[
0
]
-
rm
)
<
error
);
position1[0] = rm / std::pow(2.0, 1.0/6.0);
res1 = optimizer.optimize(narrow_LJ, position1, precision2);
cerr << res1[0] << "\t" << rm << endl;
REQUIRE(std::abs(res1[0] - rm) < err2);
}
SECTION("Testing wide 1d Lennard Jones potential") {
double rm = functions::wide_LJ.get_rm();
funct& wide_LJ = functions::wide_LJ;
position1
[
0
]
=
rm
*
3
;
res1
=
optimizer
.
optimize
(
wide_LJ
,
position1
,
precision
);
REQUIRE
(
std
::
abs
(
res1
[
0
]
-
rm
)
<
err
or
);
position1[0] = rm
*1.2
;
res1 = optimizer.optimize(wide_LJ, position1, precision
2
);
REQUIRE(std::abs(res1[0] - rm) < err
2
);
position1
[
0
]
=
rm
/
2.0
;
res1
=
optimizer
.
optimize
(
wide_LJ
,
position1
,
precision
);
REQUIRE
(
std
::
abs
(
res1
[
0
]
-
rm
)
<
err
or
);
}
position1[0] = rm /
std::pow(2.0, 1.0/6.0)
;
res1 = optimizer.optimize(wide_LJ, position1, precision
2
);
REQUIRE(std::abs(res1[0] - rm) < err
2
);
}
*/
SECTION
(
"Testing 2D parabola"
)
{
funct
&
parabola2d
=
functions
::
parabola_2d
;
position2
[
0
]
=
10
;
position2
[
1
]
=
-
123.0
;
res2
=
optimizer
.
optimize
(
parabola2d
,
position2
,
precision
);
REQUIRE
(
res2
.
l2Norm
()
<
err
or
);
REQUIRE
(
std
::
abs
(
parabola2d
(
res2
))
<
err
or
);
res2
=
optimizer
.
optimize
(
parabola2d
,
position2
,
precision
2
);
REQUIRE
(
res2
.
l2Norm
()
<
err
2
);
REQUIRE
(
std
::
abs
(
parabola2d
(
res2
))
<
err
3
);
position2
[
0
]
=
-
133
;
position2
[
1
]
=
-
0.1
;
res2
=
optimizer
.
optimize
(
parabola2d
,
position2
,
precision
);
REQUIRE
(
res2
.
l2Norm
()
<
err
or
);
REQUIRE
(
std
::
abs
(
parabola2d
(
res2
))
<
err
or
);
res2
=
optimizer
.
optimize
(
parabola2d
,
position2
,
precision
2
);
REQUIRE
(
res2
.
l2Norm
()
<
err
2
);
REQUIRE
(
std
::
abs
(
parabola2d
(
res2
))
<
err
3
);
}
SECTION
(
"Testing 2D
parabola
"
)
{
SECTION
(
"Testing 2D
wavelet
"
)
{
funct
&
periodic_wave
=
functions
::
periodic_wave_2d
;
uint32_t
k
=
13
;
uint32_t
l
=
31
;
ref2
[
0
]
=
(
2
*
k
-
0.5
)
*
M_PI
;
ref2
[
1
]
=
(
2
*
l
+
1.0
)
*
M_PI
;
position2
[
0
]
=
ref2
[
0
]
+
0.
5
;
position2
[
1
]
=
ref2
[
1
]
-
0.
2
;
res2
=
optimizer
.
optimize
(
periodic_wave
,
position2
,
precision
);
REQUIRE
((
res2
-
ref2
).
l2Norm
()
<
err
or
);
position2
[
0
]
=
ref2
[
0
]
+
0.
1
;
position2
[
1
]
=
ref2
[
1
]
-
0.
1
;
res2
=
optimizer
.
optimize
(
periodic_wave
,
position2
,
precision
2
);
REQUIRE
((
res2
-
ref2
).
l2Norm
()
<
err
3
);
k
=
-
4
;
l
=
5
;
ref2
[
0
]
=
(
2
*
k
-
0.5
)
*
M_PI
;
ref2
[
1
]
=
(
2
*
l
+
1.0
)
*
M_PI
;
position2
[
0
]
=
ref2
[
0
]
-
0.
3
;
position2
[
1
]
=
ref2
[
1
]
+
0.
4
;
res2
=
optimizer
.
optimize
(
periodic_wave
,
position2
,
precision
);
REQUIRE
((
res2
-
ref2
).
l2Norm
()
<
err
or
);
position2
[
0
]
=
ref2
[
0
]
-
0.
01
;
position2
[
1
]
=
ref2
[
1
]
+
0.
01
;
res2
=
optimizer
.
optimize
(
periodic_wave
,
position2
,
precision
2
);
REQUIRE
((
res2
-
ref2
).
l2Norm
()
<
err
3
);
}
}
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