42 |
|
double* pforce = ds2.getArrayPointer(DataStorage::dslForce); |
43 |
|
|
44 |
|
pamat[9] = 2.0993; |
45 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[1](0,0), 2.0993, oopse::epsilon); |
45 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[1](0,0), 2.0993, OpenMD::NumericConstant::epsilon); |
46 |
|
|
47 |
|
pzangle[9743] = 8464353.129574; |
48 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.zAngle[9743], 8464353.129574, oopse::epsilon); |
48 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.zAngle[9743], 8464353.129574, OpenMD::NumericConstant::epsilon); |
49 |
|
|
50 |
|
pforce[12] = 345546.3413263; |
51 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[4][0], 345546.3413263, oopse::epsilon); |
51 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[4][0], 345546.3413263, OpenMD::NumericConstant::epsilon); |
52 |
|
|
53 |
|
//test copy |
54 |
|
ds2.zAngle[0] = 7.0; |
84 |
|
|
85 |
|
ds2.copy(0, 2, 10); |
86 |
|
|
87 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.zAngle[10], 7.0, oopse::epsilon); |
88 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.zAngle[11], 3.5, oopse::epsilon); |
87 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.zAngle[10], 7.0, OpenMD::NumericConstant::epsilon); |
88 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.zAngle[11], 3.5, OpenMD::NumericConstant::epsilon); |
89 |
|
|
90 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[10][0], 6.0, oopse::epsilon); |
91 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[10][1], 7.0, oopse::epsilon); |
92 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[10][2], 8.0, oopse::epsilon); |
90 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[10][0], 6.0, OpenMD::NumericConstant::epsilon); |
91 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[10][1], 7.0, OpenMD::NumericConstant::epsilon); |
92 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[10][2], 8.0, OpenMD::NumericConstant::epsilon); |
93 |
|
|
94 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[11][0], 9.0, oopse::epsilon); |
95 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[11][1], 10.0, oopse::epsilon); |
96 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[11][2], 11.0, oopse::epsilon); |
94 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[11][0], 9.0, OpenMD::NumericConstant::epsilon); |
95 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[11][1], 10.0, OpenMD::NumericConstant::epsilon); |
96 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.force[11][2], 11.0, OpenMD::NumericConstant::epsilon); |
97 |
|
|
98 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](0, 0), 1.0, oopse::epsilon); |
99 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](0, 1), 2.0, oopse::epsilon); |
100 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](0, 2), 3.0, oopse::epsilon); |
101 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](1, 0), 4.0, oopse::epsilon); |
102 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](1, 1) , 5.0, oopse::epsilon); |
103 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](1, 2), 6.0, oopse::epsilon); |
104 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](2, 0), 7.0, oopse::epsilon); |
105 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](2, 1), 8.0, oopse::epsilon); |
106 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](2, 2), 9.0, oopse::epsilon); |
98 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](0, 0), 1.0, OpenMD::NumericConstant::epsilon); |
99 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](0, 1), 2.0, OpenMD::NumericConstant::epsilon); |
100 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](0, 2), 3.0, OpenMD::NumericConstant::epsilon); |
101 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](1, 0), 4.0, OpenMD::NumericConstant::epsilon); |
102 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](1, 1) , 5.0, OpenMD::NumericConstant::epsilon); |
103 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](1, 2), 6.0, OpenMD::NumericConstant::epsilon); |
104 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](2, 0), 7.0, OpenMD::NumericConstant::epsilon); |
105 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](2, 1), 8.0, OpenMD::NumericConstant::epsilon); |
106 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[10](2, 2), 9.0, OpenMD::NumericConstant::epsilon); |
107 |
|
|
108 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](0, 0), 11.0, oopse::epsilon); |
109 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](0, 1), 12.0, oopse::epsilon); |
110 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](0, 2), 13.0, oopse::epsilon); |
111 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](1, 0), 14.0, oopse::epsilon); |
112 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](1, 1) , 15.0, oopse::epsilon); |
113 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](1, 2), 16.0, oopse::epsilon); |
114 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](2, 0), 17.0, oopse::epsilon); |
115 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](2, 1), 18.0, oopse::epsilon); |
116 |
< |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](2, 2), 19.0, oopse::epsilon); |
108 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](0, 0), 11.0, OpenMD::NumericConstant::epsilon); |
109 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](0, 1), 12.0, OpenMD::NumericConstant::epsilon); |
110 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](0, 2), 13.0, OpenMD::NumericConstant::epsilon); |
111 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](1, 0), 14.0, OpenMD::NumericConstant::epsilon); |
112 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](1, 1) , 15.0, OpenMD::NumericConstant::epsilon); |
113 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](1, 2), 16.0, OpenMD::NumericConstant::epsilon); |
114 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](2, 0), 17.0, OpenMD::NumericConstant::epsilon); |
115 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](2, 1), 18.0, OpenMD::NumericConstant::epsilon); |
116 |
> |
CPPUNIT_ASSERT_DOUBLES_EQUAL(ds2.aMat[11](2, 2), 19.0, OpenMD::NumericConstant::epsilon); |
117 |
|
|
118 |
|
|
119 |
|
} |