From 1e2591db24760e94af04afebb4211ea592bc6a1e Mon Sep 17 00:00:00 2001 From: Zaher Salman Date: Wed, 13 Mar 2013 14:41:38 +0000 Subject: [PATCH] Added more materials to the density database. --- trimsp/src/TrimSPGUI4/Chem.pm | 86 +++++++++++++++++++++++++- trimsp/src/TrimSPGUI4/TrimSPGUI4.pm | 6 +- trimsp/src/TrimSPGUI4/TrimSPGUI4.ui | 2 +- trimsp/src/TrimSPGUI4/Ui_TrimSPGUI4.pm | 28 ++++----- 4 files changed, 101 insertions(+), 21 deletions(-) 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" );