diff --git a/trimsp/src/TrimSPGUI/Chem.pm b/trimsp/src/TrimSPGUI/Chem.pm index 2f42043..fe8a0a0 100644 --- a/trimsp/src/TrimSPGUI/Chem.pm +++ b/trimsp/src/TrimSPGUI/Chem.pm @@ -643,19 +643,101 @@ sub Densities { "Bi2Se3",7.51, "N2",1.145, "ZnO",5.61, + "ZnSe",5.26, + "ZnS",4.09, + "ZrO",6.0, + "Gd3Ga5O12",7.08, + "MgAl2O4",3.60, + "NdGaO3",7.57, + "YAlO3",4.88, + "Y3Al5O12",4.55, + "LiF",2.60, + "CaF2",3.18, + "BaFe",4.83, + "MgF2",3.18, "SiO2",2.65, "TiO2",4.26, "KTaO3",6.967, "LaAlO3",6.70, "Al2O3",3.98, "SrTiO3",5.12, + "SrLaGaO4",6.389, + "SrLaAlO4",5.924, "NbSe2",6.30, "MgO",3.58, "YBa2Cu3O7",6.54, "GaAs",5.32, - "Si",2.33, "Mn12-Acetate",1.65, "C60",1.65, + "Li",0.53, + "Be",1.85, + "B",2.34, + "C",2.26, + "Na",0.97, + "Mg",1.74, + "Al",2.7, + "Si",2.33, + "K",0.86, + "Ca",1.55, + "Sc",2.99, + "Ti",4.54, + "V",6.11, + "Cr",7.19, + "Mn",7.43, + "Fe",7.87, + "Co",8.9, + "Ni",8.9, + "Cu",8.96, + "Zn",7.13, + "Ga",5.91, + "Ge",5.32, + "Se",4.79, + "Sr",2.54, + "Y",4.47, + "Zr",6.51, + "Nb",8.57, + "Mo",10.22, + "Tc",11.5, + "Ru",12.37, + "Rh",12.41, + "Pd",12.02, + "Ag",10.5, + "Cd",8.65, + "In",7.31, + "Sn",7.31, + "Sb",6.68, + "Te",6.24, + "I",4.93, + "Ba",3.59, + "La",6.15, + "Ce",6.77, + "Pr",6.77, + "Nd",7.01, + "Sm",7.52, + "Eu",5.24, + "Gd",7.9, + "Tb",8.23, + "Dy",8.55, + "Ho",8.8, + "Er",9.07, + "Yb",6.9, + "Lu",9.84, + "Hf",13.31, + "Ta",16.65, + "W",19.35, + "Re",21.04, + "Os",22.6, + "Ir",22.4, + "Pt",21.45, + "Au",19.32, + "Hg",13.55, + "Tl",11.85, + "Pb",11.35, + "Bi",9.75, + "Po",9.3, + "Th",11.72, + "Pa",15.4, + "U",18.95, "","" ); return $Densities{$Compound}; diff --git a/trimsp/src/TrimSPGUI/TrimSPGUI.pl b/trimsp/src/TrimSPGUI/TrimSPGUI.pl index 9fa9894..f0c3f19 100644 --- a/trimsp/src/TrimSPGUI/TrimSPGUI.pl +++ b/trimsp/src/TrimSPGUI/TrimSPGUI.pl @@ -1,6 +1,6 @@ # Form implementation generated from reading ui file 'TrimSPGUI.ui' # -# Created: Tue Mar 12 10:01:24 2013 +# Created: Wed Mar 13 15:36:56 2013 # by: The PerlQt User Interface Compiler (puic) # # WARNING! All changes made in this file will be lost! @@ -3177,11 +3177,9 @@ sub findDensity my $Compound = sender() -> text(); # See if you have the density my $Density=Chem::Densities($Compound); - if ($Density ne "") { # If the density is in the database submit it - my $rho = child($rhoSender); - $rho -> setText($Density); - } + my $rho = child($rhoSender); + $rho -> setText($Density); } diff --git a/trimsp/src/TrimSPGUI/TrimSPGUI.ui.h b/trimsp/src/TrimSPGUI/TrimSPGUI.ui.h index de95ad6..8ed4fae 100644 --- a/trimsp/src/TrimSPGUI/TrimSPGUI.ui.h +++ b/trimsp/src/TrimSPGUI/TrimSPGUI.ui.h @@ -1022,9 +1022,7 @@ void TrimSPGUI::findDensity() my $Compound = sender() -> text(); # See if you have the density my $Density=Chem::Densities($Compound); - if ($Density ne "") { # If the density is in the database submit it - my $rho = child($rhoSender); - $rho -> setText($Density); - } + my $rho = child($rhoSender); + $rho -> setText($Density); }