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// Copyright 2008 Nanorex, Inc. See LICENSE file for details.
#ifndef NANOREXMMPIMPORTEXPORTRAGELTEST_H
#define NANOREXMMPIMPORTEXPORTRAGELTEST_H
#include <cppunit/extensions/HelperMacros.h>
#include <vector>
#include <stack>
#include <string>
#include "iterator.h"
#include "RagelIstreamPtr.h"
/* CLASS: NanorexMMPImportExportRagelTest */
class NanorexMMPImportExportRagelTest: public CPPUNIT_NS::TestFixture {
CPPUNIT_TEST_SUITE(NanorexMMPImportExportRagelTest);
CPPUNIT_TEST(atomLineTest);
CPPUNIT_TEST(bondLineTest);
CPPUNIT_TEST(bondDirectionTest);
CPPUNIT_TEST(infoAtomTest);
// CPPUNIT_TEST(atomStmtTest);
CPPUNIT_TEST(multipleAtomStmtTest);
CPPUNIT_TEST(molLineTest);
CPPUNIT_TEST(csysLineTest);
CPPUNIT_TEST(groupLineTest);
CPPUNIT_TEST(uncheckedParseTest);
CPPUNIT_TEST(checkedParseTest);
CPPUNIT_TEST(charBufParseTest);
CPPUNIT_TEST(fileParseTest);
CPPUNIT_TEST_SUITE_END();
private:
struct Position {
int x, y, z;
Position(int _x, int _y, int _z) : x(_x), y(_y), z(_z) {}
~Position() {}
bool operator == (Position const& p)
{ return x==p.x && y==p.y && z==p.z; }
};
struct AtomTestInfo {
int id, atomicNum;
Position pos;
std::string style;
AtomTestInfo(int _id, int _atomicNum, int _x, int _y, int _z,
std::string const& _style)
: id(_id), atomicNum(_atomicNum),
pos(_x,_y,_z), style(_style)
{
}
~AtomTestInfo() {}
};
public:
void setUp(void);
void tearDown(void);
void atomLineTest(void);
void bondLineTest(void);
void bondDirectionTest(void);
void infoAtomTest(void);
void atomStmtTest(void);
void multipleAtomStmtTest(void);
void molLineTest(void);
void csysLineTest(void);
void groupLineTest(void);
void uncheckedParseTest(void);
void checkedParseTest(void);
void fileParseTest(void);
private:
// scratch variables to hold values extracted by parser
int intVal, intVal2;
int x, y, z;
double doubleVal;
std::string stringVal, stringVal2;
int atomId, atomicNum;
std::string atomStyle;
char const *charStringWithSpaceStart, *charStringWithSpaceStop;
char const *lineStart;
int lineNum;
// variables used in atom_decl_line tests
std::vector<int> atomIds, atomicNums;
std::vector<Position> atomLocs;
std::vector<std::string> atomStyles;
std::vector<std::map<std::string, std::string> > atomProps;
// variables used in bond_line tests
std::vector<std::map<std::string, std::vector<int> > > bonds;
// variables used in bond_direction tests
int bondDirectionStartId, bondDirectionStopId;
// variables used in mol_decl_line tests
std::string currentMolName, currentMolStyle;
// variables used in csys_line tests
std::string csysViewName;
double csysQw, csysQx, csysQy, csysQz;
double csysScale, csysZoomFactor;
double csysPovX, csysPovY, csysPovZ;
// variables used in group tests
std::vector<std::string> groupNameStack;
std::string currentGroupName, currentGroupStyle;
double kelvinTemp;
int atomCount, molCount, groupCount, egroupCount;
int infoAtomCount, infoChunkCount, infoOpenGroupCount;
int bond1Count, bond2Count, bond3Count, bondaCount, bondcCount, bondgCount;
// -- helper members --
void reset(void);
void syntaxError(std::string const& errorMessage);
void atomLineTestSetUp(std::vector<std::string>& testStrings,
std::vector<AtomTestInfo>& answers);
void atomLineTestHelper(char const *const testInput);
void bondLineTestHelper(char const *const testInput);
void bondDirectionTestHelper(char const *const testInput);
void infoAtomTestHelper(char const *const testInput);
void atomStmtTestHelper(char const *const testInput);
void multipleAtomStmtTestHelper(char const *const testInput);
void molLineTestHelper(char const *const testInput);
void csysLineTestHelper(char const *const testInput);
void cppunit_assert_csys(std::string const& name,
double const& qw, double const& qx,
double const& qy, double const& qz,
double const& scale,
double const& povX, double const& povY,
double const& povZ, double const& zoomFactor);
void groupLineTestHelper(char const *const testInput);
void uncheckedParseTestHelper(char const *const testInput);
void checkedParseTestHelper(char const *const testInput);
void charBufParseTest(void);
void charBufParseTestVanillin(void);
void charBufParseTestHelper(char const *const testInput);
void fileParseTestH2O(void);
void fileParseTestHOOH(void);
void fileParseTestChlorophyll(void);
void fileParseTestVanillin(void);
void fileParseTestNanocar(void);
void fileParseTestHelper(RagelIstreamPtr& p, RagelIstreamPtr& pe);
void newAtom(int atomId, int atomicNum,
int x, int y, int z,
std::string const& atomStyle);
void newAtomInfo(std::string const& key, std::string const& value);
void newBond(std::string const& bondType, int targetAtomId);
void newBondDirection(int atomId1, int atomId2);
void newMolecule(std::string const& name, std::string const& style);
void newChunkInfo(std::string const& key, std::string const& value);
void newViewDataGroup(void);
void newNamedView(std::string const& name,
double const& qw, double const& qx, double const& qy, double const& qz,
double const& scale,
double const& povX, double const& povY, double const& povZ,
double const& zoomFactor);
void newMolStructGroup(std::string const& name,
std::string const& classification);
void newClipboardGroup(void);
void endGroup(std::string const& name);
void newOpenGroupInfo(std::string const& key, std::string const& value);
void end1(void);
void checkCounts(int atomCountRef, int molCountRef,
int groupCountRef, int egroupCountRef,
int bond1CountRef, int bond2CountRef, int bond3CountRef,
int bondaCountRef, int bondcCountRef, int bondgCountRef,
int infoAtomCountRef, int infoChunkCountRef,
int infoOpenGroupCountRef);
// void endViewDataGroup(void);
// void endMolStructGroup(std::string const& name);
// void endClipboardGroup(void);
#if 0
void stripTrailingWhiteSpaces(std::string& s) {
// std::cerr << "s = '" << s << "', s[end] = " << *s.rbegin()
// << " (int) " << int(*s.rbegin());
std::string::const_reverse_iterator endCharIter = s.rbegin();
int num_ws = 0;
while(isspace(*endCharIter) && endCharIter != s.rend()) {
++num_ws;
++endCharIter;
}
s.resize((int)s.size()-num_ws);
// std::cerr << ", @end s = '" << s << "'" << std::endl;
}
#endif
};
#endif // NANOREXMMPIMPORTEXPORTRAGELTEST_H
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