File: SnapShotManager_test.C

package info (click to toggle)
ball 1.5.0%2Bgit20180813.37fc53c-3
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 239,848 kB
  • sloc: cpp: 326,149; ansic: 4,208; python: 2,303; yacc: 1,778; lex: 1,099; xml: 958; sh: 322; makefile: 93
file content (99 lines) | stat: -rw-r--r-- 2,287 bytes parent folder | download | duplicates (8)
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
// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//

#include <BALL/CONCEPT/classTest.h>
#include <BALLTestConfig.h>

///////////////////////////

#include <BALL/MOLMEC/COMMON/snapShot.h>
#include <BALL/MOLMEC/COMMON/snapShotManager.h>
#include <BALL/FORMAT/DCDFile.h>
#include <BALL/FORMAT/PDBFile.h>

///////////////////////////

START_TEST(SnapShotManager)

/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////

using namespace BALL;

CHECK(SnapshotManager::SnapshotManager())
	// ?????
RESULT

CHECK(SnapshotManager::SnapshotManager(const System* my_system, const ForceField* my_force_field, const String& my_snapshot_file, bool overwrite))
	// ?????
RESULT

CHECK(SnapshotManager::SnapShotManager	(const System* my_system, const ForceField* my_force_field, const Options& my_options, const String& filename, bool overwrite = true))
	// ?????
RESULT

CHECK(SnapShotManager(const SnapShotManager& manager))
	// ?????
RESULT

CHECK(SnapShotManager::~SnapShotManager())
	// ?????
RESULT

CHECK(SnapShotManager::setup(const ))
	// ?????
RESULT

CHECK(SnapShotManager::operator = (const SnapShotManager& manager))
	// ?????
RESULT

CHECK(SnapShotManager::clear())
	// ?????
RESULT

CHECK(SnapShotManager::isValid())
	// ?????
RESULT

CHECK(SnapShotManager::setFlushToDiskFrequency(Size number))
	// ?????
RESULT

CHECK(SnapShotManager:: getFlushToDiskFrequency())
	// ?????
RESULT

CHECK(takeSnapShot())
	// ?????
RESULT

CHECK(SnapShotManager::flushToDisk())
	// ?????
RESULT

CHECK(SnapShotManager::getNumberOfSnapShots())
	// ?????
RESULT

CHECK(full_test)
	System system;
	PDBFile pfile(BALL_TEST_DATA_PATH(DCDFile_test.pdb));
	Size nr_of_atoms = system.countAtoms();
	pfile.read(system);
	system.getAtom(0)->setPosition(Vector3(1,2,1111));
	DCDFile dcd(BALL_TEST_DATA_PATH(DCD_test2.dcd), std::ios::in);
	SnapShotManager sm(&system, 0, &dcd);
	sm.applyFirstSnapShot();
	TEST_EQUAL(system.getAtom(0)->getPosition(), Vector3(11.936, 104.294, 10.149))
	sm.applySnapShot(2);
	sm.applyFirstSnapShot();
	sm.applySnapShot(1);
	sm.applyFirstSnapShot();
	sm.applySnapShot(0);
RESULT

/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST