Static Public Member Functions | |
| static string | usage () |
| static int | main (int argc, char **argv) |
Fecha de creación : 2007-03-18
Definition at line 43 of file TARIS-BuildTree.cpp.
| static string Programs::TARIS_BuildTree::usage | ( | ) | [inline, static] |
Definition at line 45 of file TARIS-BuildTree.cpp.
Referenced by main().
00046 { 00047 system("clear") ; 00048 return 00049 "=============================\n" 00050 "TARIS-BuildTree (" __DATE__ ")\n" 00051 "=============================\n" 00052 "\n" 00053 "Produces files in GML format containing the information that allows \n" 00054 "to visualize the corresponding molecule's tree, taking as parameters \n" 00055 "the .cube file, the initial cutoff, the final cutoff and the step-size\n" 00056 "for the scan \n" 00057 "\n" 00058 "Syntax:\n" 00059 " $ TARIS-BuildTree -c file [PARAMETERS]\n" 00060 "\n" 00061 "Required parameters:\n" 00062 " -c file\n" 00063 " This is the name of the cube file containing the electrostatic\n" 00064 " potential data\n" 00065 "\n" 00066 "Optional parameters:\n" 00067 " -b cutoffBegin\n" 00068 " Initial cutoff for the scan\n" 00069 " (default=-0.1)\n" 00070 " -e cutoffEnd\n" 00071 " Final cutoff for the scan\n" 00072 " (default=-0.07)\n" 00073 " -s stepSize\n" 00074 " Step-size for the scan\n" 00075 " (default=-0.005)\n" 00076 " -o output\n" 00077 " Name of the gml output file\n" 00078 " (default=screen)\n" 00079 "\n" 00080 "For example:\n" 00081 " $ TARIS-BuildTree -c file.cube -o file.gml\n" 00082 "\n" 00083 "Authors:\n" 00084 " Nestor F. Aguirre, Ray M. Marin and Edgar E. Daza\n" 00085 " Universidad Nacional de Colombia\n" 00086 ; 00087 }
| static int Programs::TARIS_BuildTree::main | ( | int | argc, | |
| char ** | argv | |||
| ) | [inline, static] |
Definition at line 89 of file TARIS-BuildTree.cpp.
References HyperSurface::buildAreaTree(), TarisApplication::extractParameter(), HyperSurface::load(), Tree::print(), and usage().
Referenced by main().
00090 { 00091 00092 if( argc > 1 ){ 00093 00094 string cubeFileName = TarisApplication::extractParameter( argc, argv, "-c" ) ; 00095 double cutoffBegin = atof( TarisApplication::extractParameter( argc, argv, "-b", "-0.1" ) ) ; 00096 double cutoffEnd = atof( TarisApplication::extractParameter( argc, argv, "-e", "-0.07" ) ) ; 00097 double stepSize = atof( TarisApplication::extractParameter( argc, argv, "-s", "0.005" ) ) ; 00098 string outputFileName = TarisApplication::extractParameter( argc, argv, "-o", "screen" ) ; 00099 00100 HyperSurface hs ; 00101 hs.load( cubeFileName ) ; 00102 00103 Tree output = hs.buildAreaTree( cutoffBegin, cutoffEnd, stepSize ) ; 00104 00105 Tree::print( output, cout ) ; 00106 00107 if( outputFileName != "screen" ){ 00108 output.save( outputFileName.c_str() ) ; 00109 }else{ 00110 cout << "---------------" << endl ; 00111 cout << "GML FILE" << endl ; 00112 cout << "---------------" << endl ; 00113 cout << endl ; 00114 output.save( &cout ) ; 00115 } 00116 00117 }else{ 00118 cout << usage() << endl ; 00119 } 00120 00121 return EXIT_SUCCESS; 00122 }
1.5.4