ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/math/ConvexHull.cpp
(Generate patch)

Comparing trunk/src/math/ConvexHull.cpp (file contents):
Revision 1137 by chuckv, Tue May 29 22:50:14 2007 UTC vs.
Revision 1143 by chuckv, Wed May 30 19:51:07 2007 UTC

# Line 44 | Line 44
44   *
45   *  Created by Charles F. Vardeman II on 11 Dec 2006.
46   *  @author  Charles F. Vardeman II
47 < *  @version $Id: ConvexHull.cpp,v 1.2 2007-05-29 22:50:14 chuckv Exp $
47 > *  @version $Id: ConvexHull.cpp,v 1.4 2007-05-30 19:51:07 chuckv Exp $
48   *
49   */
50  
51 #include "math/ConvexHull.hpp"
51   #include <iostream>
52   #include <fstream>
53 + #include "math/ConvexHull.hpp"
54  
55 char options[] = "qhull Qt FA";
56 int dim_ = 3;
57
55   using namespace oopse;
56  
57 < ConvexHull::ConvexHull(){}
57 > ConvexHull::ConvexHull() : dim_(3), options_("qhull Qt FA") {
58 > }
59  
60 + bool ConvexHull::genHull(std::vector<Vector3d> pos) {
61 +  FILE *outfile = stdout;
62 +  FILE *errfile = stderr;
63 +  facetT *facet;
64 +  int exitcode;
65 +  boolT ismalloc = False;
66 +  int curlong,totlong;
67 +  
68 +  int numpoints = pos.size();
69 +
70 +  coordT* points;
71 +  points = (coordT*) malloc(sizeof(coordT) * (numpoints*dim_));
72  
73 < bool ConvexHull::genHull(std::vector<Vector3d> pos)
74 < {
75 <        FILE *outfile = stdout;
76 <        FILE *errfile = stderr;
77 <        facetT *facet;
78 <        int exitcode;
79 <        boolT ismalloc = False;
80 <        int curlong,totlong;
81 <        
82 <        int numpoints = pos.size();
83 <        
84 <        coordT points[numpoints][dim_];
85 <        
86 <        for (int i=0; i<numpoints; i++)
87 <        {
88 <     points[i][0] = pos[i][0];
89 <     points[i][1] = pos[i][1];
90 <     points[i][2] = pos[i][2];          
91 <        }
92 <  
93 <
94 <
95 <        qh_initflags (options);
96 <    qh_init_B (points[0], numpoints, dim_, ismalloc);
97 <    qh_qhull();
98 <    qh_check_output();
99 <                                                        
100 <                                                        
91 <                                                        
92 <    qh_getarea(qh facet_list);
93 <    volume_ = qh totvol;                                                        
94 <        area_ = qh totarea;                                            
95 <                                                        
96 <                                                        
97 <                                                        
98 <    qh_freeqhull(!qh_ALL);
99 <        qh_memfreeshort (&curlong, &totlong);
100 <        if (curlong || totlong)
101 <                fprintf (errfile, "qhull internal warning (main): did not free %d bytes of long memory (%d pieces)\n",
102 <                                 totlong, curlong);
103 <        
104 <
105 <        return true;
73 >  for (int i=0; i<numpoints; i++) {
74 >    points[dim_ * i] = pos[i][0];
75 >    points[dim_ * i + 1] = pos[i][1];
76 >    points[dim_ * i + 2] = pos[i][2];          
77 >  }
78 >  
79 >  
80 >  qh_initflags (const_cast<char *>(options_.c_str()));
81 >  qh_init_B (points, numpoints, dim_, ismalloc);
82 >  qh_qhull();
83 >  qh_check_output();
84 >  
85 >  
86 >  
87 >  qh_getarea(qh facet_list);
88 >  volume_ = qh totvol;                                                  
89 >  area_ = qh totarea;                                          
90 >  
91 >  
92 >  
93 >  qh_freeqhull(!qh_ALL);
94 >  qh_memfreeshort (&curlong, &totlong);
95 >  if (curlong || totlong)
96 >    fprintf (errfile, "qhull internal warning (main): did not free %d bytes of long memory (%d pieces)\n",
97 >             totlong, curlong);
98 >  
99 >  
100 >  return true;
101   }
102  
103  
104 < RealType ConvexHull::getVolume()
105 < {
111 <        return volume_;
104 > RealType ConvexHull::getVolume() {
105 >  return volume_;
106   }
107  
108 < void ConvexHull::geomviewHull(const std::string& geomFileName)
109 < {
116 <
108 > void ConvexHull::geomviewHull(const std::string& geomFileName) {
109 >  
110    std::ofstream newGeomFile;
111 <
111 >  
112    //create new .md file based on old .md file
113    newGeomFile.open(geomFileName.c_str());
114 <
115 <
114 >  
115 >  
116    newGeomFile.close();
124
125
117   }

Diff Legend

Removed lines
+ Added lines
< Changed lines
> Changed lines