SaveTrajectoryFltkMenu.C Source File

00001 /***************************************************************************
00002  *cr
00003  *cr            (C) Copyright 1995-2008 The Board of Trustees of the
00004  *cr                        University of Illinois
00005  *cr                         All Rights Reserved
00006  *cr
00007  ***************************************************************************/
00008 
00009 /***************************************************************************
00010  * RCS INFORMATION:
00011  *
00012  *      $RCSfile: SaveTrajectoryFltkMenu.C,v $
00013  *      $Author: johns $        $Locker:  $             $State: Exp $
00014  *      $Revision: 1.27 $       $Date: 2008/03/27 19:36:45 $
00015  *
00016  ***************************************************************************
00017  * DESCRIPTION:
00018  *  Window to allow the user to save sets of trajectory frames etc.
00019  ***************************************************************************/
00020 
00021 #include "SaveTrajectoryFltkMenu.h"
00022 #include "Command.h"
00023 #include "VMDApp.h"
00024 #include "MolFilePlugin.h"
00025 #include "frame_selector.h"
00026 #include "CmdAnimate.h"
00027 #include "AtomSel.h"
00028 #include "MoleculeList.h"
00029 #include "VolumetricData.h"
00030 
00031 #include <stdio.h>
00032 #include <FL/Fl.H>
00033 #include <FL/forms.H>
00034 #include <FL/Fl_Window.H>
00035 #include <FL/Fl_Hold_Browser.H>
00036 #include <FL/Fl_Return_Button.H>
00037 #include <FL/Fl_Button.H>
00038 #include <FL/Fl_Choice.H>
00039 #include <FL/Fl_Int_Input.H>
00040 #include <FL/Fl_Multi_Browser.H>
00041 #include "utilities.h"
00042 
00043 static void save_cb(Fl_Widget *, void *v) {
00044   ((SaveTrajectoryFltkMenu *)v)->do_save();
00045 }
00046 
00047 void SaveTrajectoryFltkMenu::do_save() {
00048   int ind = molchooser->value()-1;
00049   if (ind < 0) {
00050     fl_alert("Please select a molecule first.");
00051     return;
00052   }
00053   int molid = app->molecule_id(ind);
00054   if (molid < 0) return;
00055   // Make sure the user selected a file type
00056   if (filetypechooser->value() < 0) {
00057     fl_alert("Please select a file type first.");
00058     return;
00059   }
00060 
00061   const char *filetype = filetypechooser->text();
00062   char mask[20];
00063   sprintf(mask, "*.%s", (const char *)filetypechooser->mvalue()->user_data());
00064 
00065   // read and check selected frames
00066   const char *firststr = firstinput->value();
00067   const char *laststr = lastinput->value();
00068   const char *stridestr = strideinput->value();
00069   int max = app->molecule_numframes(molid)-1;
00070   int first = strlen(firststr) ? atoi(firststr) : 0;
00071   int last = strlen(laststr) ? atoi(laststr) : max;
00072   int stride = strlen(stridestr) ? atoi(stridestr) : 1;
00073   int waitfor = allatoncebutton->value() ? -1 : 0;
00074 
00075   if (first < 0) first=0;
00076   if (last > max) last=max;
00077   if (stride < 1) stride=1;
00078 
00079   if ((last-first)/stride < 0) {
00080     fl_alert("No timesteps selected; trajectory file will not be written.");
00081     return;
00082   }
00083 
00084   // check that selected atoms is valid
00085   const char *seltext = selectinput->value();
00086   AtomSel *atomsel = NULL;
00087   if (strlen(seltext)) {
00088     atomsel = new AtomSel(app->atomSelParser, molid);
00089     if (atomsel->change(seltext, app->moleculeList->mol_from_id(molid)) != AtomSel::PARSE_SUCCESS) {
00090       delete atomsel;
00091       fl_alert("Invalid atom selection: %s", seltext);
00092       return;
00093     }
00094   }
00095 
00096   char *fname = app->vmd_choose_file(
00097     "Choose filename to save trajectory", mask, filetype, 1);
00098   if (fname) {
00099     FileSpec spec;
00100     spec.first = first;
00101     spec.last = last;
00102     spec.stride = stride;
00103     spec.waitfor = waitfor;
00104     if (atomsel) {
00105       spec.selection = atomsel->on;
00106     }
00107     if (app->molecule_savetrajectory(molid, fname, filetype, &spec) < 0) {
00109       fl_alert("Error writing trajectory file.");
00110     }
00111     delete [] fname;
00112   }
00113   delete atomsel;
00114 }
00115 
00116 static void molchooser_cb(Fl_Widget *, void *v) {
00117   ((SaveTrajectoryFltkMenu *)v)->molchooser_activate_selection();
00118 }
00119 
00120 void SaveTrajectoryFltkMenu::molchooser_activate_selection() {
00121   int m;
00122   selected_molid = app->molecule_id(molchooser->value()-1);
00123   if (selected_molid < 0) return;
00124   
00125   // update frames
00126   int numframes = app->molecule_numframes(selected_molid); 
00127   firstinput->value("0");
00128   {
00129     char buf[32];
00130     sprintf(buf, "%d", numframes-1);
00131     lastinput->value(buf);
00132   }
00133   strideinput->value("1");
00134 
00135   // update volumetric datasets
00136   Molecule *mol = app->moleculeList->mol_from_id(selected_molid);
00137   datasetbrowser->clear();
00138   for (m=0; m<mol->num_volume_data(); m++) {
00139     datasetbrowser->add(mol->get_volume_data(m)->name);
00140   }
00141 
00142   // update reps in repchooser
00143   repchooser->clear();
00144   repchooser->add("Current selections:");
00145   for (m=0; m<app->num_molreps(selected_molid); m++) {
00146     repchooser->add(app->molrep_get_selection(selected_molid, m));
00147   }
00148   repchooser->value(0);
00149 }
00150 
00151 static void repchooser_cb(Fl_Widget *w, void *v) {
00152   Fl_Choice *c = (Fl_Choice *)w;
00153   if (c->value()) 
00154     ((SaveTrajectoryFltkMenu *)v)->select_atoms(c->text());
00155 }
00156 
00157 void SaveTrajectoryFltkMenu::select_atoms(const char *sel) {
00158   selectinput->value(sel);
00159 }
00160 
00161 SaveTrajectoryFltkMenu::SaveTrajectoryFltkMenu(VMDApp *vmdapp)
00162 : VMDFltkMenu("save", "Save Trajectory", vmdapp) {
00163   
00164   size(450, 250);
00165     { Fl_Choice* o = molchooser = new Fl_Choice(120, 10, 320, 25, "Save data from: ");
00166       o->box(FL_THIN_UP_BOX);
00167       o->down_box(FL_BORDER_BOX);
00168       o->color(FL_PALEGREEN);
00169       o->selection_color(0);
00170       o->callback(molchooser_cb, this);
00171     }
00172     { Fl_Input *o = selectinput = new Fl_Input(120, 45, 295, 25, "Selected atoms:");
00173       o->selection_color(FL_YELLOW);
00174     }
00175     { Fl_Choice* o = repchooser = new Fl_Choice(415, 45, 25, 25);
00176       o->down_box(FL_BORDER_BOX);
00177       o->align(FL_ALIGN_TOP_LEFT);
00178       o->color(FL_PALEGREEN, FL_BLACK);
00179       o->callback(repchooser_cb, this);
00180     }
00181     { Fl_Choice* o = filetypechooser = new Fl_Choice(20, 90, 115, 25, "File type:");
00182       o->down_box(FL_BORDER_BOX);
00183       o->align(FL_ALIGN_TOP_LEFT);
00184       o->color(FL_PALEGREEN, FL_BLACK);
00185     }
00186     savebutton = new Fl_Return_Button(345, 90, 95, 25, "Save...");
00187     savebutton->callback(save_cb, this);
00188     { Fl_Group* o = timestepgroup = new Fl_Group(20, 145, 165, 95, "Frames: ");
00189       o->box(FL_ENGRAVED_FRAME);
00190       o->align(FL_ALIGN_TOP_LEFT);
00191       { Fl_Button* o = saveinbackgroundbutton = new Fl_Round_Button(30, 215, 150, 20, "Save in background");
00192         o->down_box(FL_ROUND_DOWN_BOX);
00193         o->type(FL_RADIO_BUTTON);
00194       }
00195       { Fl_Button* o = allatoncebutton = new Fl_Round_Button(30, 195, 150, 20, "Save all at once");
00196         o->down_box(FL_ROUND_DOWN_BOX);
00197         o->type(FL_RADIO_BUTTON);
00198       }
00199       { Fl_Input* o = firstinput = new Fl_Int_Input(25, 170, 45, 20, "First:");
00200         o->align(FL_ALIGN_TOP);
00201         o->selection_color(FL_YELLOW);
00202       }
00203       { Fl_Input* o = lastinput = new Fl_Int_Input(80, 170, 45, 20, "Last:");
00204         o->align(FL_ALIGN_TOP);
00205         o->selection_color(FL_YELLOW);
00206       }
00207       { Fl_Input* o = strideinput = new Fl_Int_Input(135, 170, 45, 20, "Stride:");
00208         o->align(FL_ALIGN_TOP);
00209         o->selection_color(FL_YELLOW);
00210       }
00211       o->end();
00212       datasetbrowser = new Fl_Multi_Browser(195, 145, 240, 95, "Volumetric Datasets");
00213       datasetbrowser->align(5);
00214       datasetbrowser->color(FL_DARKCYAN, FL_YELLOW);
00215     } 
00216     end();
00217 
00218   allatoncebutton->value(1);
00219   selected_molid = -1;
00220   datasetbrowser->deactivate();
00221   
00222   command_wanted(Command::PLUGIN_UPDATE);
00223   command_wanted(Command::MOL_NEW);
00224   command_wanted(Command::MOL_RENAME);
00225   command_wanted(Command::MOL_DEL);
00226   command_wanted(Command::MOL_ADDREP);
00227   command_wanted(Command::MOL_DELREP);
00228   command_wanted(Command::MOL_MODREP);
00229   command_wanted(Command::MOL_MODREPITEM);
00230   command_wanted(Command::ANIM_DELETE);
00231 }
00232 
00233 /* This rebuilds the molecule chooser menu and selects the item corresponding to the
00234 previouly selected molid*/
00235 void SaveTrajectoryFltkMenu::update_molchooser() {
00236   int tmpid;
00237       
00238   molchooser->clear();
00239   molchooser->add("No Molecule Selected");
00240   fill_fltk_molchooser(molchooser, app);
00241   
00242   molchooser->value(0);
00243   for (int m=1; m<molchooser->size()-1; m++) { 
00244     tmpid = app->molecule_id(m-1);
00245     if (tmpid == selected_molid) {
00246       molchooser->value(m);
00247       molchooser_activate_selection();
00248       break;
00249     }
00250   }
00251 }
00252 
00253 // XXX just like FilesFltkMenu - maybe we should be subclassing or something
00254 int SaveTrajectoryFltkMenu::act_on_command(int type, Command *command) {
00255   switch(type) {
00256   case Command::PLUGIN_UPDATE: 
00257     {
00258       filetypechooser->clear();
00259       PluginList plugins;
00260       int n = app->list_plugins(plugins, "mol file reader");
00261       for (int p=0; p<n; p++) {
00262         MolFilePlugin m(plugins[p]);
00263         if (m.can_write_timesteps()) 
00264           filetypechooser->add(m.name(), 0, 0, (void *)m.extension());
00265       }
00266       filetypechooser->value(0);
00267     }
00268     break;
00269   case Command::MOL_NEW:
00270   case Command::MOL_DEL:
00271   case Command::MOL_RENAME:
00272   case Command::MOL_ADDREP:
00273   case Command::MOL_DELREP:
00274   case Command::MOL_MODREP:
00275   case Command::MOL_MODREPITEM:
00276     update_molchooser();
00277     break;
00278   case Command::ANIM_DELETE:
00279     if (selected_molid == ((CmdAnimDelete*)command)->whichMol)
00280       molchooser_activate_selection(); //to update the number of frames
00281     break;
00282   default:
00283     return 0;
00284   }
00285   return 1;
00286 }
00287 
00288 
00289 int SaveTrajectoryFltkMenu::selectmol(int molindex) {
00290   if (molindex < 0 || molindex >= app->num_molecules())
00291       molchooser->value(0);
00292   else {
00293     molchooser->value(molindex+1);
00294     molchooser_activate_selection();
00295   }
00296   return TRUE;
00297 }
00298 
00299