arcanis/moldyn
1
0
Fork 0
mirror of https://github.com/arcan1s/moldyn.git synced 2025-07-15 22:59:59 +00:00
Code Issues Projects Releases Wiki Activity

Added radf-1.0.1b

Browse Source
This commit is contained in:
arcan1s
2013-08-02 06:14:41 +04:00
parent 2c5664d3bd
commit 0523b2f7fa
30 changed files with 4068 additions and 93 deletions
Download Patch File Download Diff File Expand all files Collapse all files

3
envir/README
View File

@ -3,7 +3,8 @@ Version: 1.0.1
License: GPL
Usage:
envir -i FILENAME -c X,Y,Z -o FILEMANE [ -n NUM_OF_MOLECULE ] [ -r RADIUS ] [ -l LOGFILE] [ -q ] [ -h ]
envir -i FILENAME -c X,Y,Z -o FILEMANE [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]
[ -l LOGFILE ] [ -q ] [ -h ]
Parametrs:
-i - input file with coordinates

17
envir/src/main.c
View File

@ -24,13 +24,13 @@
* @section How-To-Use How to use
* Usage:
* <pre>
* envir -i FILENAME -c X,Y,Z -o FILEMANE [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]
* [ -l LOGFILE] [ -q ] [ -h ]
* envir -i INPUT -c X,Y,Z -o OUTPUT [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]
* [ -l LOGFILE ] [ -q ] [ -h ]
*
* Parametrs:
* -i - input file with coordinates
* -i - input file name
* -c - cell size (float), A
* -o - output file with coordinates
* -o - output file name
* -n - number of molecule for search (integer). Default is 1
* -r - radius of environment (float). Default is 6.0
* -l - log enable
@ -41,7 +41,7 @@
* @page Install
*
* @section Requirements Requirements
* The application statgen requires the following external stuff:
* The application envir requires the following external stuff:
* - cmake >= 2.8
* - gcc >= 4.8
*
@ -133,11 +133,12 @@ int main(int argc, char *argv[])
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
sprintf (tmp_str, "%sUsage:\n", tmp_str);
sprintf (tmp_str, "%senvir -i FILENAME -c X,Y,Z -o FILEMANE [ -n NUM_OF_MOLECULE ] [ -r RADIUS ] [ -l LOGFILE] [ -q ] [ -h ]\n\n", tmp_str);
sprintf (tmp_str, "%senvir -i INPUT -c X,Y,Z -o OUTPUT [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]\n", tmp_str);
sprintf (tmp_str, "%s [ -l LOGFILE ] [ -q ] [ -h ]\n\n", tmp_str);
sprintf (tmp_str, "%sParametrs:\n", tmp_str);
sprintf (tmp_str, "%s -i - input file with coordinates\n", tmp_str);
sprintf (tmp_str, "%s -i - input file name\n", tmp_str);
sprintf (tmp_str, "%s -c - cell size (float), A\n", tmp_str);
sprintf (tmp_str, "%s -o - output file with coordinates\n", tmp_str);
sprintf (tmp_str, "%s -o - output file name\n", tmp_str);
sprintf (tmp_str, "%s -n - number of molecule for search (integer). Default is 1\n", tmp_str);
sprintf (tmp_str, "%s -r - radius of environment (float). Default is 6.0\n", tmp_str);
sprintf (tmp_str, "%s -l - log enable\n", tmp_str);