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Release mathmech 1.0.1

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arcan1s
2013-08-29 04:46:58 +04:00
parent 69fd9fd15e
commit d049cd091c
38 changed files with 623 additions and 516 deletions
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6
mathmech/mm_statgen/src/main.c
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@ -116,7 +116,7 @@ int main (int argc, char *argv[])
* coords massive of coordinates
* crit massive of criteria
*
* agl massive of aglomerates
* agl massive of agglomerates
* connect connectivity graph for all molecules
* from first trajectory step
* label_atom massive of atom types for interactions
@ -125,14 +125,14 @@ int main (int argc, char *argv[])
* max_depth maximum depth for check cycles in graph analyze
* num_atoms number of atoms
* num_mol number of molecules
* num_mol_agl massive of number of molecules in aglomerates
* num_mol_agl massive of number of molecules in agglomerates
* num_of_inter number of different interactions
* stat massive of statistic
* stat_all massive of summary statistic
* step $(to - from + 1)
* to last trajectory step
* true_label_mol massive of true numbers of molecule for atoms
* type_agl massive of number of aglomerate types
* type_agl massive of number of agglomerate types
* type_atoms massive of atom types
* type_inter number of atoms for interactions
* quiet status of quiet-mode

2
mathmech/mm_statgen/src/messages.c
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@ -53,7 +53,7 @@ int message (const int log, const int mode, const char *text, FILE *output)
sprintf (out, "Initialization of variables from file '%s'\n", text);
break;
case 4:
sprintf (out, "%6cAglomerate was selected successfully\n", ' ');
sprintf (out, "%6cAgglomerate was selected successfully\n", ' ');
break;
case 5:
sprintf (out, "Initial parametrs: \n%s", text);

14
mathmech/mm_statgen/src/stat_print.c
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@ -15,11 +15,11 @@ int printing_agl (const char *input, const char *output, const int *connect,
const int num_mol, const int *true_label_mol, const int *num_mol_agl,
const int *agl, const int *stat, const int max_depth, int *type_agl)
/**
* @brief function that prints aglomerates to output file
* @brief function that prints agglomerates to output file
* @code
* printing_agl (input_file, output_file, number_of_molecules, true_label_molecules,
* num_of_molecules_in_aglomerates, aglomerates, statistic, max_depth,
* type_of_aglomerate);
* num_of_molecules_in_agglomerates, agglomerates, statistic, max_depth,
* type_of_agglomerate);
* @endcode
*
* @param input input file name
@ -27,11 +27,11 @@ int printing_agl (const char *input, const char *output, const int *connect,
* @param connect connectivity graph for all molecules
* @param num_mol number of molecules
* @param true_label_mol massive of true numbers of molecule for atoms
* @param num_mol_agl massive of number of molecules in aglomerates
* @param agl massive of aglomerates
* @param num_mol_agl massive of number of molecules in agglomerates
* @param agl massive of agglomerates
* @param stat massive of statistic
* @param max_depth maximum depth for check cycles in graph analyze
* @param type_agl massive of number of aglomerate types
* @param type_agl massive of number of agglomerate types
*
* @return 1 - memory error
* @return 0 - exit without errors
@ -90,7 +90,7 @@ int printing_agl (const char *input, const char *output, const int *connect,
if (error > 0)
return 1;
// print class of aglomerate
// print class of agglomerate
fprintf (f_out, "AGL=%i=", num_mol_agl[i]);
for (j=0; j<max_depth; j++)
{

8
mathmech/mm_statgen/src/stat_sort.c
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@ -13,14 +13,14 @@ int proc_matrix (const int num_mol, const int *connect, int *num_mol_agl, int *a
/**
* @brief function that processes connectivity matrix
* @code
* proc_matrix (number_of_molecules, connect_matrix, num_of_molecules_in_aglomerates,
* aglomerates, statistic, summary_statistic);
* proc_matrix (number_of_molecules, connect_matrix, num_of_molecules_in_agglomerates,
* agglomerates, statistic, summary_statistic);
* @endcode
*
* @param num_mol number of molecules
* @param connect connectivity graph for all molecules
* @param num_mol_agl massive of number of molecules in aglomerates
* @param agl massive of aglomerates
* @param num_mol_agl massive of number of molecules in agglomerates
* @param agl massive of agglomerates
* @param stat massive of statistic
* @param stat_all massive of summary statistic
*

12
mathmech/mm_statgen/src/summary_stat.c
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@ -14,14 +14,14 @@ int summary_statistic (const char *filename, const int step, const int num_mol,
* @brief function that prints summary statistic
* @code
* summary_statistic (filename, number_of_step, number_of_molecules, max_depth,
* type_of_aglomerate, summary_statistic);
* type_of_agglomerate, summary_statistic);
* @endcode
*
* @param filename output file name
* @param step number of steps
* @param num_mol number of molecules
* @param max_depth maximum depth for check cycles in graph analyze
* @param type_agl massive of number of aglomerate types
* @param type_agl massive of number of agglomerate types
* @param stat_all massive of summary statistic
*
* @return 0 - exit without errors
@ -31,9 +31,9 @@ int summary_statistic (const char *filename, const int step, const int num_mol,
int i, index;
FILE *f_out;
/* conc concentrate of aglomerates
* p probability of aglomerates
* pn weight probability of aglomerates
/* conc concentrate of agglomerates
* p probability of agglomerates
* pn weight probability of agglomerates
* f_out output file
*/
@ -66,7 +66,7 @@ int summary_statistic (const char *filename, const int step, const int num_mol,
if (max_depth > 0)
{
// types of aglomerates
// types of agglomerates
// linear and cycle
x = type_agl[0] + type_agl[1];
type[0] = type_agl[0];