Changeset c12297 for molecuilder/src/datacreator.cpp
- Timestamp:
- Jul 9, 2009, 10:38:53 AM (16 years ago)
- Children:
- bd86e8
- Parents:
- 669a7e
- File:
-
- 1 edited
-
molecuilder/src/datacreator.cpp (modified) (11 diffs)
Legend:
- Unmodified
- Added
- Removed
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molecuilder/src/datacreator.cpp
r669a7e rc12297 54 54 * \return true if file was written successfully 55 55 */ 56 bool CreateDataEnergyOrder(class EnergyMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum)56 bool CreateDataEnergyOrder(class EnergyMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum) 57 57 { 58 58 stringstream filename; … … 87 87 * \return true if file was written successfully 88 88 */ 89 bool CreateDataDeltaEnergyOrder(class EnergyMatrix &Energy, class EnergyMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum)89 bool CreateDataDeltaEnergyOrder(class EnergyMatrix &Energy, class EnergyMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum) 90 90 { 91 91 stringstream filename; … … 124 124 * \return true if file was written successfully 125 125 */ 126 bool CreateDataForcesOrder(class ForceMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum, void (*CreateForce)(class MatrixContainer &, int))126 bool CreateDataForcesOrder(class ForceMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix,const char *msg, const char *datum, void (*CreateForce)(class MatrixContainer &, int)) 127 127 { 128 128 stringstream filename; … … 156 156 * \return true if file was written successfully 157 157 */ 158 bool CreateDataDeltaForcesOrder(class ForceMatrix &Force, class ForceMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum, void (*CreateForce)(class MatrixContainer &, int))158 bool CreateDataDeltaForcesOrder(class ForceMatrix &Force, class ForceMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum, void (*CreateForce)(class MatrixContainer &, int)) 159 159 { 160 160 stringstream filename; … … 188 188 * \return true if file was written successfully 189 189 */ 190 bool CreateDataDeltaForcesOrderPerAtom(class ForceMatrix &Force, class ForceMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum)190 bool CreateDataDeltaForcesOrderPerAtom(class ForceMatrix &Force, class ForceMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum) 191 191 { 192 192 stringstream filename; … … 213 213 norm += Force.Matrix[Force.MatrixCounter][ j ][l+m]*Force.Matrix[Force.MatrixCounter][ j ][l+m]; 214 214 norm = sqrt(norm); 215 } 215 } 216 216 // if (norm < MYEPSILON) 217 217 output << scientific << Fragments.Matrix[Fragments.MatrixCounter][ j ][l] << "\t"; … … 235 235 * \return true if file was written successfully 236 236 */ 237 bool CreateDataForcesOrderPerAtom(class ForceMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum)237 bool CreateDataForcesOrderPerAtom(class ForceMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum) 238 238 { 239 239 stringstream filename; … … 264 264 /** Plot matrix vs. fragment. 265 265 */ 266 bool CreateDataFragment(class MatrixContainer &Fragment, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum, void (*CreateFragment)(class MatrixContainer &, int))266 bool CreateDataFragment(class MatrixContainer &Fragment, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum, void (*CreateFragment)(class MatrixContainer &, int)) 267 267 { 268 268 stringstream filename; … … 329 329 /** Plot matrix vs. fragment. 330 330 */ 331 bool CreateDataFragmentOrder(class MatrixContainer &Fragment, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum, void (*CreateFragmentOrder)(class MatrixContainer &, class KeySetsContainer &, int))331 bool CreateDataFragmentOrder(class MatrixContainer &Fragment, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum, void (*CreateFragmentOrder)(class MatrixContainer &, class KeySetsContainer &, int)) 332 332 { 333 333 stringstream filename; … … 649 649 { 650 650 stringstream line(Force.Header); 651 c har *fillcolor[5] = {"black", "red", "blue", "green", "cyan"};651 const char *fillcolor[5] = {"black", "red", "blue", "green", "cyan"}; 652 652 string token; 653 653 … … 681 681 { 682 682 stringstream line(Force.Header); 683 c har *fillcolor[5] = {"black", "red", "blue", "green", "cyan"};683 const char *fillcolor[5] = {"black", "red", "blue", "green", "cyan"}; 684 684 string token; 685 685
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