Changeset e6fe8a for molecuilder/src
- Timestamp:
- Jan 10, 2010, 7:05:34 PM (16 years ago)
- Children:
- 2c69a9
- Parents:
- 247d49
- Location:
- molecuilder/src
- Files:
-
- 17 edited
-
analyzer.cpp (modified) (1 diff)
-
builder.cpp (modified) (2 diffs)
-
config.cpp (modified) (3 diffs)
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joiner.cpp (modified) (1 diff)
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molecule.cpp (modified) (2 diffs)
-
molecule_fragmentation.cpp (modified) (1 diff)
-
moleculelist.cpp (modified) (1 diff)
-
parser.cpp (modified) (1 diff)
-
periodentafel.cpp (modified) (1 diff)
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unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) (1 diff)
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unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) (1 diff)
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unittests/AnalysisPairCorrelationUnitTest.cpp (modified) (1 diff)
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unittests/analysisbondsunittest.cpp (modified) (1 diff)
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unittests/bondgraphunittest.cpp (modified) (1 diff)
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unittests/listofbondsunittest.cpp (modified) (1 diff)
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unittests/tesselation_insideoutsideunittest.cpp (modified) (1 diff)
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unittests/tesselationunittest.cpp (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
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molecuilder/src/analyzer.cpp
r247d49 re6fe8a 7 7 8 8 //============================ INCLUDES =========================== 9 10 #include <cstring> 9 11 10 12 #include "datacreator.hpp" -
molecuilder/src/builder.cpp
r247d49 re6fe8a 49 49 50 50 using namespace std; 51 52 #include <cstring> 51 53 52 54 #include "analysis_correlation.hpp" … … 1744 1746 molecule *filler = new molecule(periode);; 1745 1747 molecule *Filling = NULL; 1746 atom *second = NULL, *third = NULL;1748 // atom *second = NULL, *third = NULL; 1747 1749 first = new atom(); 1748 1750 first->type = periode->FindElement(5); -
molecuilder/src/config.cpp
r247d49 re6fe8a 6 6 7 7 #include <stdio.h> 8 #include <cstring> 8 9 9 10 #include "atom.hpp" … … 27 28 char number1[8]; 28 29 char number2[8]; 29 c har *dummy1, *dummy2;30 const char *dummy1, *dummy2; 30 31 //Log() << Verbose(0) << s1 << " " << s2 << endl; 31 32 dummy1 = strchr(s1, '_')+sizeof(char)*5; // go just after "Ion_Type" … … 2123 2124 } 2124 2125 line++; 2125 } while ( dummy1 != NULL && (dummy1[0] == '#') || (dummy1[0] == '\n'));2126 } while ((dummy1 != NULL) && ((dummy1[0] == '#') || (dummy1[0] == '\n'))); 2126 2127 dummy = dummy1; 2127 2128 } else { // simple int, strings or doubles start in the same line -
molecuilder/src/joiner.cpp
r247d49 re6fe8a 7 7 8 8 //============================ INCLUDES =========================== 9 10 #include <cstring> 9 11 10 12 #include "datacreator.hpp" -
molecuilder/src/molecule.cpp
r247d49 re6fe8a 4 4 * 5 5 */ 6 7 #include <cstring> 6 8 7 9 #include "atom.hpp" … … 587 589 else 588 590 molname = filename; // contains no slashes 589 c har *endname = strchr(molname, '.');591 const char *endname = strchr(molname, '.'); 590 592 if ((endname == NULL) || (endname < molname)) 591 593 length = strlen(molname); -
molecuilder/src/molecule_fragmentation.cpp
r247d49 re6fe8a 5 5 * Author: heber 6 6 */ 7 8 #include <cstring> 7 9 8 10 #include "atom.hpp" -
molecuilder/src/moleculelist.cpp
r247d49 re6fe8a 4 4 * 5 5 */ 6 7 #include <cstring> 6 8 7 9 #include "atom.hpp" -
molecuilder/src/parser.cpp
r247d49 re6fe8a 6 6 7 7 // ======================================= INCLUDES ========================================== 8 9 #include <cstring> 8 10 9 11 #include "helpers.hpp" -
molecuilder/src/periodentafel.cpp
r247d49 re6fe8a 9 9 #include <iomanip> 10 10 #include <fstream> 11 #include <cstring> 11 12 12 13 #include "element.hpp" -
molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp
r247d49 re6fe8a 11 11 #include <cppunit/extensions/TestFactoryRegistry.h> 12 12 #include <cppunit/ui/text/TestRunner.h> 13 14 #include <cstring> 13 15 14 16 #include "analysis_correlation.hpp" -
molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp
r247d49 re6fe8a 11 11 #include <cppunit/extensions/TestFactoryRegistry.h> 12 12 #include <cppunit/ui/text/TestRunner.h> 13 14 #include <cstring> 13 15 14 16 #include "analysis_correlation.hpp" -
molecuilder/src/unittests/AnalysisPairCorrelationUnitTest.cpp
r247d49 re6fe8a 11 11 #include <cppunit/extensions/TestFactoryRegistry.h> 12 12 #include <cppunit/ui/text/TestRunner.h> 13 14 #include <cstring> 13 15 14 16 #include "analysis_correlation.hpp" -
molecuilder/src/unittests/analysisbondsunittest.cpp
r247d49 re6fe8a 14 14 #include <iostream> 15 15 #include <stdio.h> 16 #include <cstring> 16 17 17 18 #include "analysis_bonds.hpp" -
molecuilder/src/unittests/bondgraphunittest.cpp
r247d49 re6fe8a 14 14 #include <iostream> 15 15 #include <stdio.h> 16 #include <cstring> 16 17 17 18 #include "atom.hpp" -
molecuilder/src/unittests/listofbondsunittest.cpp
r247d49 re6fe8a 11 11 #include <cppunit/extensions/TestFactoryRegistry.h> 12 12 #include <cppunit/ui/text/TestRunner.h> 13 14 #include <cstring> 13 15 14 16 #include "listofbondsunittest.hpp" -
molecuilder/src/unittests/tesselation_insideoutsideunittest.cpp
r247d49 re6fe8a 11 11 #include <cppunit/extensions/TestFactoryRegistry.h> 12 12 #include <cppunit/ui/text/TestRunner.h> 13 14 #include <cstring> 13 15 14 16 #include "defs.hpp" -
molecuilder/src/unittests/tesselationunittest.cpp
r247d49 re6fe8a 12 12 #include <cppunit/extensions/TestFactoryRegistry.h> 13 13 #include <cppunit/ui/text/TestRunner.h> 14 15 #include <cstring> 14 16 15 17 #include "defs.hpp"
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