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PickModeMolLabel.C

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00001 /***************************************************************************
00002  *cr                                                                       
00003  *cr            (C) Copyright 1995-2019 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: PickModeMolLabel.C,v $
00013  *      $Author: johns $        $Locker:  $                $State: Exp $
00014  *      $Revision: 1.46 $      $Date: 2019/01/17 21:21:01 $
00015  *
00016  ***************************************************************************
00017  * DESCRIPTION:
00018  *
00019  * The PickMode object which allows a pointer to be used to create new 
00020  * geometrical monitoring labels.  This particular version is used only for
00021  * adding molecular labels, i.e. Atoms, Bonds, Angles, and Dihedrals.  As
00022  * more atoms are selected, they are remembered until enough have been picked
00023  * to create the relevant label (i.e. 3 atoms to create an Angle label).
00024  *
00025  ***************************************************************************/
00026 
00027 #include <math.h>
00028 #include "PickModeMolLabel.h"
00029 #include "Pickable.h"
00030 #include "DisplayDevice.h"
00031 #include "Inform.h"
00032 #include "DrawMolecule.h"
00033 #include "CommandQueue.h"
00034 #include "TextEvent.h"
00035 #include "VMDApp.h"
00036 #include "utilities.h"
00037 
00038 PickModeMolLabel::PickModeMolLabel(const char *nm, int size, VMDApp *vmdapp) 
00039 : needItems(size), app(vmdapp) {
00040 
00041   modename = stringdup(nm);
00042 
00043   needName = FALSE;
00044 
00045   // save number of elements needed, and allocate storage
00046   molids = new int[size];
00047   atmids = new int[size];
00048   cells  = new int[3L*size];
00049 
00050   // indicate we're still at the starting trying to find something
00051   haveItems = 0;
00052 }
00053 
00054 PickModeMolLabel::~PickModeMolLabel(void) {
00055 
00056   delete [] molids;
00057   delete [] atmids;
00058   delete [] cells;
00059   delete [] modename;
00060 }
00061 
00062 
00063 void PickModeMolLabel::pick_molecule_start(DrawMolecule *mol, DisplayDevice *d,
00064                         int, int tag, const int *cell, int dim, const float *pos) {
00065   atom = tag;
00066   // XXX shouldn't we be saving the molid as well???
00067   memcpy(pPos, pos, dim*sizeof(float));
00068   memcpy(lastCell, cell, 3*sizeof(int));
00069   needName = TRUE;
00070   
00071   int shift_pressed = d->shift_state() & DisplayDevice::SHIFT;
00072   app->commandQueue->runcommand(new PickAtomEvent(mol->id(), tag, 
00073     shift_pressed));
00074 }
00075 
00076 void PickModeMolLabel::pick_molecule_move(DrawMolecule *, DisplayDevice *,
00077                         int, int dim, const float *pos) {
00078 
00079   // just keep track to see if the pointer moves any; if so, cancel action
00080   if(needName) {
00081     float mvdist = 0.0;
00082     for(int i=0; i < dim; i++)
00083       mvdist += (float) fabs(pPos[i] - pos[i]);
00084 
00085     if(mvdist > 0.01)
00086       needName = FALSE;
00087   }
00088 }
00089 
00090 void PickModeMolLabel::pick_molecule_end(DrawMolecule *m, DisplayDevice *) {
00091 
00092   if(needName) {
00093     // the selection was successful; first save the info for the object
00094 
00095     int id = m->id();
00096     molids[haveItems] = id; 
00097     atmids[haveItems] = atom;
00098     memcpy(cells+3*haveItems, lastCell, 3*sizeof(int));
00099 
00100     // every time an atom is selected, add an Atoms label
00101     app->label_add("Atoms", 1, &id, &atom, lastCell, 0.0f, 1);
00102 
00103     // indicate we have one more items in the ones we need
00104     haveItems++;
00105 
00106     // now check if we have enough items for the object we're out for
00107     if(haveItems >= needItems) {
00108 
00109       if(needItems > 1) {
00110         // for labels other than just atoms, add new monitor
00111         app->label_add(modename, needItems, molids, atmids, cells, 0.0f, 1);
00112       }
00113 
00114       // indicate we're done with this selection
00115       haveItems = 0;
00116     }
00117   }
00118   needName = FALSE;
00119 }
00120 
00121 void PickModeMolLabel::pick_graphics(int molid, int tag, int btn, DisplayDevice *d) {
00122   int shift_pressed = d->shift_state() & DisplayDevice::SHIFT;
00123   app->commandQueue->runcommand(new PickGraphicsEvent(molid, tag, btn, shift_pressed));
00124 }
00125 

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