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Added documentation for statgen

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arcan1s
2013-07-27 23:38:42 +04:00
parent f2ec8c6580
commit 1af86034e7
54 changed files with 3953 additions and 308 deletions
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47
statgen/src/stat_sort.c
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@ -1,29 +1,41 @@
/* Library for processing connectivity matrix
*
* Usage:
* proc_matrix (number_of_molecules, connect_matrix,
* num_of_molecules_in_aglomerates, aglomerates, statistic, summary_statistic)
/**
* @file
*/
#include <stdlib.h>
/**
* @fn proc_matrix
*/
int proc_matrix (const int num_mol, const int *connect, int *num_mol_agl, int *agl,
int *stat, int *stat_all)
/* num_mol - number of molecules
* connect - connectivity graph for all molecules
* num_mol_agl - massive of numbers of molecule in aglomerates
* agl - massive of aglomerates
* stat - massive of statistics
* stat_all - massive of summary statistics
/**
* @brief function that processes connectivity matrix
* @code
* proc_matrix (number_of_molecules, connect_matrix,
* num_of_molecules_in_aglomerates, aglomerates, 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 stat massive of statistic
* @param stat_all massive of summary statistic
*
* @return 1 - memory error
* @return 0 - exit without errors
*/
{
int i, j, k, p, *bin;
/* p - weight / graph index
* bin - binary massive of labels
/* p weight / graph index
* bin binary massive of labels
*/
// definition and zeroing
/// <b>Work blocks</b>
// definition and zeroing
bin = (int *) malloc (num_mol * sizeof (int));
if (bin == NULL)
return 1;
@ -36,7 +48,7 @@ int proc_matrix (const int num_mol, const int *connect, int *num_mol_agl, int *a
agl[num_mol*i+j] = 0;
}
// select non-bonded molecules
/// <pre> select non-bonded molecules </pre>
for (i=0; i<num_mol; i++)
{
p = 0;
@ -50,7 +62,7 @@ int proc_matrix (const int num_mol, const int *connect, int *num_mol_agl, int *a
}
}
// unwraping of connectivity matrix
/// <pre> unwraping of connectivity matrix </pre>
p = 0;
for (i=0; i<num_mol; i++)
if (bin[i] == 1)
@ -71,7 +83,7 @@ int proc_matrix (const int num_mol, const int *connect, int *num_mol_agl, int *a
p++;
}
// filling statistic array
/// <pre> filling statistic array </pre>
i = 0;
while (num_mol_agl[i] > 0)
{
@ -80,6 +92,7 @@ int proc_matrix (const int num_mol, const int *connect, int *num_mol_agl, int *a
i++;
}
/// <pre> free memory </pre>
free (bin);
return 0;