void CWidget::InitDraw() { if (m_bSizeChanged) { m_bSizeChanged = false; MoveWindow(0, 0); // Move to a safe position first WindowResize(this, Width(), Height()); MoveWindow(X(), Y()); UpdateSize(); TUI.QueueRefresh(); } if (m_bColorsChanged) { if (m_bFocused) wbkgdset(m_pNCursWin, ' ' | TUI.GetColorPair(m_FColors.first, m_FColors.second) | A_BOLD); else wbkgdset(m_pNCursWin, ' ' | TUI.GetColorPair(m_DFColors.first, m_DFColors.second) | A_BOLD); m_bColorsChanged = false; UpdateColors(); } WindowErase(this); if (HasBox()) Border(this); }
/** Create Netcdf file specified by filename and set up dimension and * variable IDs. */ int Traj_AmberNetcdf::setupTrajout(std::string const& fname, Topology* trajParm, int NframesToWrite, bool append) { if (!append) { filename_.SetFileName( fname ); // Set up title if (Title().empty()) SetTitle("Cpptraj Generated trajectory"); // Create NetCDF file. if ( NC_create( filename_.Full(), NC_AMBERTRAJ, trajParm->Natom(), HasV(), HasBox(), HasT(), true, Title() ) ) return 1; if (debug_>1) NetcdfDebug(); // Close Netcdf file. It will be reopened write. NC_close(); // Allocate memory if (Coord_!=0) delete[] Coord_; Coord_ = new float[ Ncatom3() ]; } else { // NOTE: File existence is checked for in Trajout // Call setupTrajin to set input parameters. This will also allocate // memory for coords. if (setupTrajin(fname, trajParm) == TRAJIN_ERR) return 1; if (debug_ > 0) mprintf("\tNetCDF: Appending %s starting at frame %i\n", filename_.base(), Ncframe()); } // Open file if ( NC_openWrite( filename_.Full() ) != 0 ) { mprinterr("Error: Opening Netcdf file %s for Write.\n", filename_.base()); return 1; } return 0; }
int CBox::CoreRequestHeight() { int ret = RequestedWidgetsH(); if (HasBox()) ret += 2; return std::max(ret, GetMinHeight()); }
int CBox::CoreRequestWidth() { int ret = RequestedWidgetsW(); if (HasBox()) ret += 2; return std::max(ret, GetMinWidth()); }
// Traj_AmberRestartNC::writeFrame() int Traj_AmberRestartNC::writeFrame(int set, double *X, double *V,double *box, double T) { // Set up file for this set bool V_present = (HasV() && V != 0); std::string fname; // Create filename for this set // If just writing 1 frame dont modify output filename if (singleWrite_) fname = filename_.Full(); else fname = NumberFilename(filename_.Full(), set+1); if ( NC_create( fname.c_str(), NC_AMBERRESTART, Ncatom(), V_present, HasBox(), HasT(), (time0_ >= 0), Title() ) ) return 1; // write coords start_[0] = 0; start_[1] = 0; count_[0] = Ncatom(); count_[1] = 3; if (checkNCerr(nc_put_vara_double(ncid_,coordVID_,start_,count_,X)) ) { mprinterr("Error: Netcdf restart Writing coordinates %i\n",set); return 1; } // write velocity if (V_present) { mprintf("DEBUG: Writing V, VID=%i\n",velocityVID_); if (checkNCerr(nc_put_vara_double(ncid_,velocityVID_,start_,count_,V)) ) { mprinterr("Error: Netcdf restart writing velocity %i\n",set); return 1; } } // write box if (cellLengthVID_ != -1) { count_[0] = 3; count_[1] = 0; if (checkNCerr(nc_put_vara_double(ncid_,cellLengthVID_,start_,count_,box)) ) { mprinterr("Error: Writing cell lengths.\n"); return 1; } if (checkNCerr(nc_put_vara_double(ncid_,cellAngleVID_,start_,count_, box+3)) ) { mprinterr("Error: Writing cell angles.\n"); return 1; } } // write time if (timeVID_ != -1) { restartTime_ = (time0_ + (double)set) * dt_; if (checkNCerr(nc_put_var_double(ncid_,timeVID_,&restartTime_)) ) { mprinterr("Error: Writing restart time.\n"); return 1; } } // write temperature if (TempVID_ != -1) { if (checkNCerr(nc_put_var_double(ncid_,TempVID_,&T)) ) { mprinterr("Error: Writing restart temperature.\n"); return 1; } } //nc_sync(ncid_); // Necessary? File about to close anyway... // Close file for this set closeTraj(); return 0; }