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
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
|
// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
#include <BALLTestConfig.h>
///////////////////////////
#include <BALL/SOLVATION/solventParameter.h>
///////////////////////////
START_TEST(SolventParameter)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace BALL;
SolventParameter* s_ptr;
CHECK(SolventParameter())
s_ptr = new SolventParameter;
TEST_NOT_EQUAL(s_ptr,0)
bool test = ( "" == s_ptr->getSolventName());
TEST_EQUAL(test,true)
test = ( 0.0 == s_ptr->getSolventDensity());
TEST_EQUAL(test,true)
::std::vector<SolventAtomDescriptor> test_sae;
//test = ( test_sae == s_ptr->getSolventDescription());
//TEST_EQUAL(test, true)
SolventDescriptor test_sd;
test = ( test_sd == s_ptr->getSolventDescriptor());
TEST_EQUAL(test, true)
RESULT
CHECK(~SolventParameter())
delete s_ptr;
RESULT
CHECK(extractSection(Parameters& parameters, const String& section_name))
//????? , da ????? in SolventParameter.C
bool result;
SolventParameter s_ptr;
Parameters param(BALL_TEST_DATA_PATH(SolventParameter_test1.ini));
param.init();
CAPTURE_OUTPUT_LEVEL(2000)
result = s_ptr.extractSection(param,"SolventDescription");
COMPARE_OUTPUT("SolventParameter::extractSection(): Variable missing.\n")
TEST_EQUAL(result,false)
param = Parameters(BALL_TEST_DATA_PATH(SolventParameter_test2.ini));
param.init();
CAPTURE_OUTPUT_LEVEL(2000)
result = s_ptr.extractSection(param,"SolventDescription");
COMPARE_OUTPUT("SolventParameter::extractSection(): no name given.\n")
TEST_EQUAL(result,true)
param = Parameters(BALL_TEST_DATA_PATH(SolventParameter_test3.ini));
param.init();
CAPTURE_OUTPUT_LEVEL(2000)
result = s_ptr.extractSection(param,"SolventDescription");
COMPARE_OUTPUT("SolventParameter::extractSection(): no number density given.\n")
TEST_EQUAL(result,true)
param = Parameters(BALL_TEST_DATA_PATH(SolventParameter_test4.ini));
param.init();
CAPTURE_OUTPUT_LEVEL(2000)
result = s_ptr.extractSection(param,"SolventDescription");
COMPARE_OUTPUT("SolventParameter::extractSection(): Cannot assign atom type.\n")
TEST_EQUAL(result,true)
param = Parameters(BALL_TEST_DATA_PATH(SolventParameter_test.ini));
param.init();
result = s_ptr.extractSection(param,"SolventDescription");
TEST_EQUAL(result,true)
RESULT
CHECK(clear())
SolventParameter s_ptr;
Parameters param(BALL_TEST_DATA_PATH(SolventParameter_test.ini));
param.init();
s_ptr.extractSection(param,"SolventDescription");
s_ptr.clear();
SolventParameter s_ptr2;
//assumes that operator == is correct
bool result = (s_ptr==s_ptr2);
TEST_EQUAL(result,true)
RESULT
CHECK(SolventParameter& operator = (const SolventParameter& param))
SolventParameter s_ptr;
Parameters param(BALL_TEST_DATA_PATH(SolventParameter_test.ini));
param.init();
s_ptr.extractSection(param,"SolventDescription");
SolventParameter s_ptr2;
s_ptr2=s_ptr;
//assumes that operator == is correct
bool result = (s_ptr==s_ptr2);
TEST_EQUAL(result,true)
RESULT
CHECK(SolventParameter(const SolventParameter& param))
SolventParameter s_ptr;
Parameters param(BALL_TEST_DATA_PATH(SolventParameter_test.ini));
param.init();
s_ptr.extractSection(param,"SolventDescription");
SolventParameter s_ptr2;
s_ptr2 = SolventParameter(s_ptr);
//assumes that operator == is correct
bool result = (s_ptr==s_ptr2);
TEST_EQUAL(result,true)
RESULT
CHECK(getSolventDescriptor() const )
SolventParameter s_ptr;
Parameters param(BALL_TEST_DATA_PATH(SolventParameter_test.ini));
param.init();
s_ptr.extractSection(param,"SolventDescription");
const SolventDescriptor sd = s_ptr.getSolventDescriptor();
TEST_EQUAL(sd.getName(),"PCM")
RESULT
CHECK(getSolventDescriptor() )
SolventParameter s_ptr;
Parameters param(BALL_TEST_DATA_PATH(SolventParameter_test.ini));
param.init();
s_ptr.extractSection(param,"SolventDescription");
SolventDescriptor sd = s_ptr.getSolventDescriptor();
TEST_EQUAL(sd.getName(),"PCM")
RESULT
CHECK(operator == (const SolventParameter& param) const)
//????? , da ????? in Quellcode
RESULT
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
|
