diff --git a/trimsp/src/TrimSPGUI4/Chem.pm b/trimsp/src/TrimSPGUI4/Chem.pm
index 700b029..fe8a0a0 100644
--- a/trimsp/src/TrimSPGUI4/Chem.pm
+++ b/trimsp/src/TrimSPGUI4/Chem.pm
@@ -637,25 +637,107 @@ sub Stopicru {
sub Densities {
# Database of densities for different compounds
my ($Compound) = @_;
-
+
my %Densities = (
"NbN",8.47,
"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/TrimSPGUI4/TrimSPGUI4.pm b/trimsp/src/TrimSPGUI4/TrimSPGUI4.pm
index 84739d5..f872507 100644
--- a/trimsp/src/TrimSPGUI4/TrimSPGUI4.pm
+++ b/trimsp/src/TrimSPGUI4/TrimSPGUI4.pm
@@ -985,11 +985,9 @@ sub findDensity()
my $Compound = this->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 $rho = child("Qt::LineEdit",$rhoSender);
- $rho->setText($Density);
- }
+ my $rho = child("Qt::LineEdit",$rhoSender);
+ $rho->setText($Density);
}
# Subroutine: keep for tests and debugging
diff --git a/trimsp/src/TrimSPGUI4/TrimSPGUI4.ui b/trimsp/src/TrimSPGUI4/TrimSPGUI4.ui
index bd33d6b..c9c8390 100644
--- a/trimsp/src/TrimSPGUI4/TrimSPGUI4.ui
+++ b/trimsp/src/TrimSPGUI4/TrimSPGUI4.ui
@@ -1758,7 +1758,7 @@
Configure
-
+
10
diff --git a/trimsp/src/TrimSPGUI4/Ui_TrimSPGUI4.pm b/trimsp/src/TrimSPGUI4/Ui_TrimSPGUI4.pm
index ee555b7..f0da9c7 100644
--- a/trimsp/src/TrimSPGUI4/Ui_TrimSPGUI4.pm
+++ b/trimsp/src/TrimSPGUI4/Ui_TrimSPGUI4.pm
@@ -5,7 +5,7 @@
#################################################################################
## Form generated from reading UI file 'TrimSPGUI4.ui'
##
-## Created: Thu Feb 7 16:51:02 2013
+## Created: Thu Feb 7 17:19:56 2013
## by: Qt User Interface Compiler version 4.8.4
##
## WARNING! All changes made in this file will be lost when recompiling UI file!
@@ -566,8 +566,8 @@ sub configTab {
return shift->{configTab};
}
-sub layoutWidget1 {
- return shift->{layoutWidget1};
+sub layoutWidget2 {
+ return shift->{layoutWidget2};
}
sub verticalLayout_2 {
@@ -1456,11 +1456,11 @@ sub setupUi {
my $configTab = Qt::Widget( );
$self->{configTab} = $configTab;
$configTab->setObjectName( "configTab" );
- my $layoutWidget1 = Qt::Widget( $configTab );
- $self->{layoutWidget1} = $layoutWidget1;
- $layoutWidget1->setObjectName( "layoutWidget1" );
- $layoutWidget1->setGeometry( Qt::Rect(10, 31, 671, 101) );
- my $verticalLayout_2 = Qt::VBoxLayout( $layoutWidget1 );
+ my $layoutWidget2 = Qt::Widget( $configTab );
+ $self->{layoutWidget2} = $layoutWidget2;
+ $layoutWidget2->setObjectName( "layoutWidget2" );
+ $layoutWidget2->setGeometry( Qt::Rect(10, 31, 671, 101) );
+ my $verticalLayout_2 = Qt::VBoxLayout( $layoutWidget2 );
$self->{verticalLayout_2} = $verticalLayout_2;
$verticalLayout_2->setSpacing( 6 );
$verticalLayout_2->setMargin( 11 );
@@ -1470,7 +1470,7 @@ sub setupUi {
$self->{horizontalLayout} = $horizontalLayout;
$horizontalLayout->setSpacing( 6 );
$horizontalLayout->setObjectName( "horizontalLayout" );
- my $label_2 = Qt::Label( $layoutWidget1 );
+ my $label_2 = Qt::Label( $layoutWidget2 );
$self->{label_2} = $label_2;
$label_2->setObjectName( "label_2" );
my $sizePolicy9 = Qt::SizePolicy( Qt::SizePolicy::Fixed(), Qt::SizePolicy::Preferred() );
@@ -1484,13 +1484,13 @@ sub setupUi {
$horizontalLayout->addWidget( $label_2 );
- my $trimbin = Qt::LineEdit( $layoutWidget1 );
+ my $trimbin = Qt::LineEdit( $layoutWidget2 );
$self->{trimbin} = $trimbin;
$trimbin->setObjectName( "trimbin" );
$horizontalLayout->addWidget( $trimbin );
- my $trimBinBrowse = Qt::PushButton( $layoutWidget1 );
+ my $trimBinBrowse = Qt::PushButton( $layoutWidget2 );
$self->{trimBinBrowse} = $trimBinBrowse;
$trimBinBrowse->setObjectName( "trimBinBrowse" );
@@ -1503,7 +1503,7 @@ sub setupUi {
$self->{horizontalLayout_2} = $horizontalLayout_2;
$horizontalLayout_2->setSpacing( 6 );
$horizontalLayout_2->setObjectName( "horizontalLayout_2" );
- my $label_3 = Qt::Label( $layoutWidget1 );
+ my $label_3 = Qt::Label( $layoutWidget2 );
$self->{label_3} = $label_3;
$label_3->setObjectName( "label_3" );
$sizePolicy9->setHeightForWidth( $label_3->sizePolicy()->hasHeightForWidth() );
@@ -1513,13 +1513,13 @@ sub setupUi {
$horizontalLayout_2->addWidget( $label_3 );
- my $pathTrimGUI = Qt::LineEdit( $layoutWidget1 );
+ my $pathTrimGUI = Qt::LineEdit( $layoutWidget2 );
$self->{pathTrimGUI} = $pathTrimGUI;
$pathTrimGUI->setObjectName( "pathTrimGUI" );
$horizontalLayout_2->addWidget( $pathTrimGUI );
- my $guiPathBrowse = Qt::PushButton( $layoutWidget1 );
+ my $guiPathBrowse = Qt::PushButton( $layoutWidget2 );
$self->{guiPathBrowse} = $guiPathBrowse;
$guiPathBrowse->setObjectName( "guiPathBrowse" );