From dd69cb5544fec820ca82eb55f4058f82fd1aa339 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Christian=20Mee=C3=9Fen?= <christian.meessen@gfz-potsdam.de>
Date: Tue, 16 Jun 2020 11:20:24 +0200
Subject: [PATCH] T2rho (#2)

* Unit display according to SI specs

* Fix  bug in argument -t

* Printing XFe in rock composition tabel

* Update binary location

* Added T2Rho

* Update README.md

* Update travis badge URL

* Update CHANGELOG
---
 .travis.yml                   |   4 +-
 CHANGELOG                     |  14 +-
 Example/Makefile              |   6 +-
 Example/results.png           | Bin 27659 -> 30535 bytes
 README.md                     |   4 +-
 T2Rho.md                      |  58 ++++++
 VeloDT.pro                    |   2 +-
 include/T2Rho/T2Rho.h         |  66 ++++++
 include/common/PointClasses.h | 118 +++++------
 src/T2Rho/T2Rho.cpp           | 367 ++++++++++++++++++++++++++++++++++
 src/T2Rho/T2Rho.pro           |  29 +++
 11 files changed, 604 insertions(+), 64 deletions(-)
 create mode 100644 T2Rho.md
 create mode 100644 include/T2Rho/T2Rho.h
 create mode 100644 src/T2Rho/T2Rho.cpp
 create mode 100644 src/T2Rho/T2Rho.pro

diff --git a/.travis.yml b/.travis.yml
index 6bd35d3..d96fbda 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -9,13 +9,13 @@ script:
 - qmake
 - make
 after_success:
-- tar -zcvf bin/bin-VeloDT-prerelease-ubuntu-qt${QT_BASE}-x86_64.tar.gz bin/V2RhoT
+- tar -zcvf bin/bin-VeloDT-ubuntu-qt${QT_BASE}-x86_64.tar.gz bin/V2RhoT
   bin/V2T
 deploy:
   provider: releases
   api_key:
     secure: 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
-  file: bin/bin-VeloDT-prerelease-ubuntu-qt${QT_BASE}-x86_64.tar.gz
+  file: bin/bin-VeloDT-ubuntu-qt${QT_BASE}-x86_64.tar.gz
   on:
     tags: true
     repo: cmeessen/VeloDT
diff --git a/CHANGELOG b/CHANGELOG
index e00442b..49918c8 100644
--- a/CHANGELOG
+++ b/CHANGELOG
@@ -3,7 +3,19 @@ All notable changes to this project will be documented in this file.
 
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/).
 
-## [1.1.0] - 2020-06-16
+## [v1.2.0] - 2020-06-16
+
+### Added
+
+- T2Rho applies the equations of
+  [Goes et al. (2000)](https://doi.org/10.1029/1999JB900300) to compute
+  densities from a given mineral composition, temperature and pressure
+
+### Fixed
+
+- File name of binaries is not "prerelease" anymore
+
+## [v1.1.0] - 2020-06-16
 
 ### Added
 
diff --git a/Example/Makefile b/Example/Makefile
index be61071..735c928 100644
--- a/Example/Makefile
+++ b/Example/Makefile
@@ -1,5 +1,6 @@
 V2RhoT = ../bin/V2RhoT
 V2T = ../bin/V2T
+T2Rho = ../bin/T2Rho
 # Plot properties
 FIGURE = results.ps
 ROI_T = 450/1450/-200/-50
@@ -31,13 +32,16 @@ plot: convert
 	# GGV Rho Vs
 	gmt psxy V2RhoT_Vs.dat -i5,2+s0.001 -J -R$(ROI_R) -W1p,red -X7 -BwSne+t'Density' -Bx+l'@~r@~ / kg/m@+3@+' -Baf -O -P -K >> $(FIGURE)
 	# GGV Rho Vp
-	gmt psxy V2RhoT_Vp.dat -i5,2+s0.001 -J -R -W1p,blue -O -P >> $(FIGURE)
+	gmt psxy V2RhoT_Vp.dat -i5,2+s0.001 -J -R -W1p,blue -O -P -K >> $(FIGURE)
+	# Rho from PMK
+	gmt psxy T2Rho_V2T_Vs.dat -i5,2+s0.001 -J -R -W1p,red,. -O -P >> $(FIGURE)
 	gmt psconvert -A -Tg -Z $(FIGURE) -E100 -Qt -Qg
 
 convert: createfiles Vs.dat Vp.dat
 	$(V2RhoT) Vs.dat V2RhoT_Vs.dat -type S -ERM PREM -scaleZ -1000 -scaleV 1000 -compp 0 -xfe 0.086
 	$(V2RhoT) Vp.dat V2RhoT_Vp.dat -type P -ERM PREM -scaleZ -1000 -scaleV 1000 -compp 0 -xfe 0.086
 	$(V2T) Vs.dat V2T_Vs.dat -ERM PREM -scaleZ -1000
+	$(V2RhoT) V2T_Vs.dat T2Rho_V2T_Vs.dat -ERM PREM
 
 createfiles:
 	awk '{if(NR>3){print($$1,$$2,$$3,$$4)}}' PREM.dat > Vp.dat
diff --git a/Example/results.png b/Example/results.png
index b1acad5a57793e5a96cee10a0eea2825173d8bb7..b570c23ca6723937ec878909e3660ce30acbad2e 100644
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diff --git a/README.md b/README.md
index 43844e2..507d953 100644
--- a/README.md
+++ b/README.md
@@ -1,7 +1,7 @@
 # VeloDT
 
 [![DOI](https://zenodo.org/badge/121383426.svg)](https://zenodo.org/badge/latestdoi/121383426)
-[![Build Status](https://travis-ci.org/cmeessen/VeloDT.svg?branch=restructure-repo)](https://travis-ci.org/cmeessen/VeloDT)
+[![Build Status](https://travis-ci.org/cmeessen/VeloDT.svg?branch=master)](https://travis-ci.org/cmeessen/VeloDT)
 
 *VeloDT* contains two C++ implementations of *Vp*- and/or *Vs*-conversions to temperature and/or density valid in the upper mantle.
 
@@ -23,9 +23,9 @@ or download the [latest release](https://github.com/cmeessen/VeloDT/releases/lat
 
 - [**V2RhoT**](./V2RhoT.md) closely follows [Goes et al. (2000)](https://doi.org/10.1029/1999JB900300) to convert vp or
 vs to temperature and density assuming a mineral assemblage
-
 - [**V2T**](./V2T.md) implements the method by [Priestley and McKenzie
 (2006)](https://doi.org/10.1016/j.epsl.2006.01.008) and converts *Vs* to temperature
+- [**T2Rho**](./T2Rho.md) applies the equations of [Goes et al. (2000)](https://doi.org/10.1029/1999JB900300) to compute densities from a given mineral composition, temperature and pressure
 
 Please refer to the original publications for validity and pitfalls of the methods.
 
diff --git a/T2Rho.md b/T2Rho.md
new file mode 100644
index 0000000..760b731
--- /dev/null
+++ b/T2Rho.md
@@ -0,0 +1,58 @@
+# T2Rho
+
+This tool helps to directly compute densities from the output of [`V2T`](./V2T.md), using the equations given in [Goes et al. (2000)](https://doi.org/10.1029/1999JB900300).
+
+## Compilation
+
+Before compilation make sure to have Qt and qmake installed. Then go to this folder and run
+
+```
+qmake
+make
+```
+
+This generates the `T2Rho` executable.
+
+## Using T2Rho
+
+Executing `T2Rho -h` displays the available console commands together with two examples.
+
+```
+usage: T2Rho File_In File_Out [options]
+
+T2Rho is designed to directly process output files from V2T in
+order to obtain densities from temperatures assuming a specific
+mantle composition.
+
+  Required input parameters:
+  --------------------------
+  File_In          Path and name of grid file containing x y z Vs
+  File_Out         Output file name and path
+
+  Option    Value Default Description
+  ------    ----- ------- -----------
+  -h                      This information
+  -ERM      string  AK135 P calculation method AK135 or PREM
+  -compc    vals          Custom rock composition
+                          -compc Ol Opx Cpx Sp Gnt
+  -compp    val         0 Use predefined rock compositions:
+                          0 - Garnet Lherzolite after (Jordan,
+                              1979; Goes et al, 2000)
+                          1 - On-cratonic (Shapiro and Ritzwoller, 2004)
+                          2 - Off-cratonic (Shapiro and Ritzwoller, 2004)
+                          3 - Oceanic (Shapiro and Ritzwoller, 2004)
+  -xfe      val       0.1 Define iron content of the rock in mole fraction
+```
+
+### Mandatory arguments
+
+`T2Rho` requires the input file `File_In`, containing x y z and vs, and the name of the output file `File_Out`. Input units for z is masl, for vs km/s.
+
+### Pressure calculation
+
+Standard calculation of **pressure** uses the earth reference model AK135.
+- options are `AK135`, `PREM` or `simple`
+- `-ERM PREM` activates pressure calculation with PREM
+- `-ERM simple` uses the average density defined with `-ra`
+- an experimental feature is the pressure calculation using topography and crustal thickness. This is activated by using `-t_crust FILENAME` and `-z_topo FILENAME`, which both require EarthVision formatted grids containing crustal thickness and topographic elevation. The pressure is then calculated assuming constant density for the crust (`-rc 2890`) and mantle (`-rm 3300`)
+- `-ra` defines an average density which is then used to calculate the pressure
diff --git a/VeloDT.pro b/VeloDT.pro
index dc724bd..d63a62d 100644
--- a/VeloDT.pro
+++ b/VeloDT.pro
@@ -1,6 +1,6 @@
 TEMPLATE = subdirs
 CONFIG -= app_bundle
 CONFIG += ordered
-SUBDIRS += src/common src/V2RhoT src/V2T
+SUBDIRS += src/common src/V2RhoT src/V2T src/T2Rho
 V2RhoT.depends = common
 V2T.depends = common
diff --git a/include/T2Rho/T2Rho.h b/include/T2Rho/T2Rho.h
new file mode 100644
index 0000000..18c657e
--- /dev/null
+++ b/include/T2Rho/T2Rho.h
@@ -0,0 +1,66 @@
+/*******************************************************************************
+*                     Copyright (C) 2018 by Christian Meeßen                   *
+*                                                                              *
+*                          This file is part of VeloDT.                        *
+*                                                                              *
+*         VeloDT is free software: you can redistribute it and/or modify       *
+*     it under the terms of the GNU General Public License as published by     *
+*           the Free Software Foundation version 3 of the License.             *
+*                                                                              *
+*        VeloDT is distributed in the hope that it will be useful, but         *
+*          WITHOUT ANY WARRANTY; without even the implied warranty of          *
+*       MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU       *
+*                   General Public License for more details.                   *
+*                                                                              *
+*      You should have received a copy of the GNU General Public License       *
+*        along with VeloDT. If not, see <http://www.gnu.org/licenses/>.        *
+*******************************************************************************/
+#ifndef T2RHO_H_
+#define T2RHO_H_
+
+#include <QList>
+#include <QString>
+#include <QStringList>
+#include <QDateTime>
+#include <QRegExp>
+#include <math.h>
+#include <iostream>
+#include <stdlib.h>
+#include "PhysicalConstants.h"
+#include "PointClasses.h"
+#include "ERMs.h"
+
+class T2Rho {
+  QString PMethod;
+  QString file_in;
+  QString file_out;
+  EarthReferenceModel * ERM;
+  // Mineral properties
+  QList<double> m_rho;
+  QList<double> m_drhodX;
+  QList<double> m_K;
+  QList<double> m_dKdT;
+  QList<double> m_dKdP;
+  QList<double> m_dKdPdX;
+  QList<double> m_dKdX;
+  QList<double> m_alpha0;
+  QList<Point5D> data_out;
+  // Rock properties
+  double r_XFe;
+  QList<double> r_comp;
+  // Functions
+  bool SetPMethod(QString method);
+  void argsError(QString val, bool ok);
+  void setComp(QList<double> composition);
+  void setComp(int c);
+
+ public:
+  T2Rho();
+  void usage();
+  void info();
+  void readArgs(int &argc, char *argv[]);
+  void readFile();
+  void writeFile();
+};
+
+#endif  // T2RHO_H_
diff --git a/include/common/PointClasses.h b/include/common/PointClasses.h
index bed7e58..de20f7f 100644
--- a/include/common/PointClasses.h
+++ b/include/common/PointClasses.h
@@ -20,81 +20,85 @@
 #define POINTCLASSES_H_
 
 class Point2D {
+private:
   QList <double> Vals;
- public:
+public:
   Point2D();
   Point2D(double x, double y);
   // Assigning properties
-  void setX(double x) {Vals[0] = x;}
-  void setY(double y) {Vals[1] = y;}
+  void setX(double x){Vals[0]=x;}
+  void setY(double y){Vals[1]=y;}
   // Retrieving properties
-  double x() {return Vals[0];}
-  double y() {return Vals[1];}
+  double x(){return Vals[0];}
+  double y(){return Vals[1];}
   // Operators
   double &operator[](int idx);
 };
 
 class Point3D {
-  QList <double> Vals;
- public:
-  Point3D();
-  Point3D(double x, double y, double z);
-  // Assigning properties
-  void setX(double x) {Vals[0] = x;}
-  void setY(double y) {Vals[1] = y;}
-  void setZ(double z) {Vals[2] = z;}
-  // Retrieving properties
-  double x() {return Vals[0];}
-  double y() {return Vals[1];}
-  double z() {return Vals[2];}
-  // Operators
-  double &operator[](int idx);
-  Point3D &operator=(Point3D p);
+  private:
+    QList <double> Vals;
+  public:
+    Point3D();
+    Point3D(double x, double y, double z);
+    // Assigning properties
+    void setX(double x){Vals[0]=x;}
+    void setY(double y){Vals[1]=y;}
+    void setZ(double z){Vals[2]=z;}
+    // Retrieving properties
+    double x(){return Vals[0];}
+    double y(){return Vals[1];}
+    double z(){return Vals[2];}
+    // Operators
+    double &operator[](int idx);
+    Point3D &operator=(Point3D p);
 };
 
 class Point4D {
-  QList <double> Vals;
- public:
-  Point4D();
-  Point4D(double x, double y, double z, double v);
-  // Assigning properties
-  void setX(double x) {Vals[0] = x;}
-  void setY(double y) {Vals[1] = y;}
-  void setZ(double z) {Vals[2] = z;}
-  void setV(double v) {Vals[3] = v;}
-  // Retrieving properties
-  double x() {return Vals[0];}
-  double y() {return Vals[1];}
-  double z() {return Vals[2];}
-  double v() {return Vals[3];}
-  double *p(int i) {return &Vals[i];}
-  // Operators
-  double &operator[](int idx);
-  Point4D &operator=(Point4D p);
+  private:
+    QList <double> Vals;
+  public:
+    Point4D();
+    Point4D(double x, double y, double z, double v);
+    // Assigning properties
+    void setX(double x){Vals[0]=x;}
+    void setY(double y){Vals[1]=y;}
+    void setZ(double z){Vals[2]=z;}
+    void setV(double v){Vals[3]=v;}
+    // Retrieving properties
+    double x(){return Vals[0];}
+    double y(){return Vals[1];}
+    double z(){return Vals[2];}
+    double v(){return Vals[3];}
+    double *p(int i){return &Vals[i];}
+    // Operators
+    double &operator[](int idx);
+    Point4D &operator=(Point4D p);
 };
 
 
 class Point5D {
-  QList <double> Vals;
- public:
-  Point5D();
-  Point5D(double x, double y, double z, double v, double prop);
-  // Assigning properties
-  void setX(double x) {Vals[0] = x;}
-  void setY(double y) {Vals[1] = y;}
-  void setZ(double z) {Vals[2] = z;}
-  void setV(double v) {Vals[3] = v;}
-  void setProp(double prop) {Vals[4] = prop;}
-  // Retrieving properties
-  double x() {return Vals[0];}
-  double y() {return Vals[1];}
-  double z() {return Vals[2];}
-  double v() {return Vals[3];}
-  double prop() {return Vals[4];}
+  private:
+    QList <double> Vals;
+  public:
+    Point5D();
+    Point5D(double x, double y, double z, double v, double prop);
+    // Assigning properties
+    void setX(double x){Vals[0]=x;}
+    void setY(double y){Vals[1]=y;}
+    void setZ(double z){Vals[2]=z;}
+    void setV(double v){Vals[3]=v;}
+    void setProp(double prop){Vals[4]=prop;}
+    // Retrieving properties
+    double x(){return Vals[0];}
+    double y(){return Vals[1];}
+    double z(){return Vals[2];}
+    double v(){return Vals[3];}
+    double prop(){return Vals[4];}
 
-  double &operator[](int idx);
-  Point5D &operator=(Point5D p);
-  double *p(int i){return &Vals[i];}
+    double &operator[](int idx);
+    Point5D &operator=(Point5D p);
+    double *p(int i){return &Vals[i];}
 };
 
 #endif // POINTCLASSES_H_
diff --git a/src/T2Rho/T2Rho.cpp b/src/T2Rho/T2Rho.cpp
new file mode 100644
index 0000000..cfc0ac0
--- /dev/null
+++ b/src/T2Rho/T2Rho.cpp
@@ -0,0 +1,367 @@
+/*******************************************************************************
+*                     Copyright (C) 2018 by Christian Meeßen                   *
+*                                                                              *
+*                          This file is part of VeloDT.                        *
+*                                                                              *
+*         VeloDT is free software: you can redistribute it and/or modify       *
+*     it under the terms of the GNU General Public License as published by     *
+*           the Free Software Foundation version 3 of the License.             *
+*                                                                              *
+*        VeloDT is distributed in the hope that it will be useful, but         *
+*          WITHOUT ANY WARRANTY; without even the implied warranty of          *
+*       MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU       *
+*                   General Public License for more details.                   *
+*                                                                              *
+*      You should have received a copy of the GNU General Public License       *
+*        along with VeloDT. If not, see <http://www.gnu.org/licenses/>.        *
+*******************************************************************************/
+#include "T2Rho.h"
+
+using std::cout;
+using std::endl;
+
+T2Rho::T2Rho() {
+  PMethod = "AK135";
+  ERM = new EarthReferenceModel(PMethod);
+
+  // Mineral properties Tab. A1 in Goes et al (2000)
+  m_rho.append(3222);
+  m_rho.append(3198);
+  m_rho.append(3280);
+  m_rho.append(3578);
+  m_rho.append(3565);
+
+  m_drhodX.append(1182);
+  m_drhodX.append(804);
+  m_drhodX.append(377);
+  m_drhodX.append(702);
+  m_drhodX.append(758);
+
+  m_K.append(1.29E+11);
+  m_K.append(1.11E+11);
+  m_K.append(1.05E+11);
+  m_K.append(1.98E+11);
+  m_K.append(1.73E+11);
+
+  m_dKdT.append(-1.60E+07);
+  m_dKdT.append(-1.20E+07);
+  m_dKdT.append(-1.30E+07);
+  m_dKdT.append(-2.80E+07);
+  m_dKdT.append(-2.10E+07);
+
+  m_dKdP.append(4.2);
+  m_dKdP.append(6);
+  m_dKdP.append(6.2);
+  m_dKdP.append(5.7);
+  m_dKdP.append(4.9);
+
+  m_dKdPdX.append(0);
+  m_dKdPdX.append(0);
+  m_dKdPdX.append(-1.9);
+  m_dKdPdX.append(0);
+  m_dKdPdX.append(0);
+
+  m_dKdX.append(0);
+  m_dKdX.append(-10E9);
+  m_dKdX.append(13E9);
+  m_dKdX.append(12E9);
+  m_dKdX.append(7E9);
+
+  m_alpha0.append(2.01E-5);
+  m_alpha0.append(3.871E-5);
+  m_alpha0.append(3.206E-5);
+  m_alpha0.append(6.969E-5);
+  m_alpha0.append(9.91E-6);
+
+  // Initiate rock properties
+  r_XFe = 0.1;
+  r_comp.append(0);
+  r_comp.append(0);
+  r_comp.append(0);
+  r_comp.append(0);
+  r_comp.append(0);
+  setComp(0);
+}
+
+void T2Rho::usage() {
+  cout << endl
+      << "usage: T2Rho File_In File_Out [options]" << endl
+      << endl
+      << "T2Rho is designed to directly process output files from V2T in" << endl
+      << "order to obtain densities from temperatures assuming a specific" << endl
+      << "mantle composition." << endl
+      << endl
+      << "  Required input parameters:" << endl
+      << "  --------------------------" << endl
+      << "  File_In          Path and name of grid file containing x y z Vs" << endl
+      << "  File_Out         Output file name and path" << endl
+      << endl
+      << "  Option    Value Default Description" << endl
+      << "  ------    ----- ------- -----------" << endl
+      << "  -h                      This information" << endl
+      << "  -ERM      string  AK135 P calculation method AK135 or PREM" << endl
+      << "  -compc    vals          Custom rock composition" << endl
+      << "                          -compc Ol Opx Cpx Sp Gnt" << endl
+      << "  -compp    val         0 Use predefined rock compositions:" << endl
+      << "                          0 - Garnet Lherzolite after (Jordan," << endl
+      << "                              1979; Goes et al, 2000)" << endl
+      << "                          1 - On-cratonic (Shapiro and Ritzwoller, 2004)" << endl
+      << "                          2 - Off-cratonic (Shapiro and Ritzwoller, 2004)" << endl
+      << "                          3 - Oceanic (Shapiro and Ritzwoller, 2004)" << endl
+      << "  -xfe      val       0.1 Define iron content of the rock in mole fraction" << endl
+      << endl;
+  exit(0);
+}
+
+bool T2Rho::SetPMethod(QString method) {
+  if (ERM->set(method)) {
+    PMethod = method;
+    return true;
+  } else {
+    return false;
+  }
+}
+
+void T2Rho::setComp(QList<double> composition) {
+  // Check length
+  if (!(composition.length() == 5)) {
+    cout << PRINT_ERROR "Number of mineral phases must be equal to 5." << endl;
+  }
+  // Check sum
+  double compsum = 0;
+  for (int i=0; i < 5; i++) {
+    compsum += composition[i];
+  }
+  if (!(compsum == 1)) {
+    cout << PRINT_ERROR "Sum of the phases is unequal to 1." << endl;
+    exit(1);
+  } else {
+    for (int i=0; i < 5; i++) {
+      r_comp[i] = composition[i];
+    }
+  }
+}
+
+void T2Rho::setComp(int c) {
+  switch (c) {
+    case 0:
+      // Default composition after Goes et al (2000)
+      r_comp[0] = 0.67;
+      r_comp[1] = 0.225;
+      r_comp[2] = 0.045;
+      r_comp[3] = 0;
+      r_comp[4] = 0.06;
+      break;
+    case 1:
+      // On-cratonic Shapiro and Ritzwoller (2004)
+      r_comp[0] = 0.83;
+      r_comp[1] = 0.15;
+      r_comp[2] = 0;
+      r_comp[3] = 0;
+      r_comp[4] = 0.02;
+      break;
+    case 2:
+      // Off-cratonic Shapiro and Ritzwoller (2004)
+      r_comp[0] = 0.68;
+      r_comp[1] = 0.18;
+      r_comp[2] = 0.11;
+      r_comp[3] = 0;
+      r_comp[4] = 0.03;
+      break;
+    case 3:
+      // Oceanic Shapiro and Ritzwoller (2004)
+      r_comp[0] = 0.75;
+      r_comp[1] = 0.21;
+      r_comp[2] = 0.035;
+      r_comp[3] = 0.005;
+      r_comp[4] = 0.0;
+      break;
+    default:
+      cout << PRINT_ERROR "Unknown composition " << c << "\n. Exit.\n";
+      exit(1);
+  }
+}
+
+void T2Rho::argsError(QString val, bool ok) {
+  if (!ok) {
+    cout << PRINT_ERROR "Invalid value in " << val.toUtf8().data() << endl;
+    exit(1);
+  }
+}
+
+void T2Rho::readArgs(int &argc, char *argv[]) {
+  int i;
+  bool ok;
+  QStringList arg;
+
+  for (i=0; i < argc; i++)
+    arg << argv[i];
+
+  if ( (argc > 1) && (arg[1] == "-h" || arg[1] == "-help") ) {
+    usage();
+  } else if (argc < 3) {
+    cout << endl << endl << PRINT_ERROR "Not enough arguments!\n\n";
+    usage();
+  } else {
+    file_in = arg[1].toUtf8().data();
+    file_out = arg[2].toUtf8().data();
+
+    for (i=3; i < argc; i++) {
+      if (arg[i] == "-ERM") {
+        ok = SetPMethod(arg[i+1]);
+        argsError(arg[i], ok);
+        i++;
+      } else if (arg[i] == "-h") {
+        usage();
+      } else if (arg[i] == "-xfe") {
+        r_XFe = arg[i+1].toDouble(&ok);
+        argsError(arg[i], ok);
+      } else if (arg[i] == "-compc") {
+        QList<double> compc;
+        for (int j=1; j < 6; j++) {
+          compc.append(arg[i+j].toDouble(&ok));
+          argsError(arg[i+j], ok);
+        }
+        setComp(compc);
+      } else if (arg[i] == "-compp") {
+        int compp = arg[i+1].toInt(&ok);
+        argsError(arg[i], ok);
+        setComp(compp);
+      }
+    }
+  }
+}
+
+void T2Rho::info() {
+  cout << "***********************************************************" << endl
+       << endl
+       << "             Temperature to Density Conversion" << endl
+       << endl
+       << "***********************************************************" << endl
+       << endl
+       << "Settings" << endl
+       << "--------" << endl
+       << "Rock composition (ol,opx,cpx,gnt,sp):" << endl;
+  for (int i=0; i < 5; i++)
+    cout << r_comp[i] << " ";
+  cout << endl
+       << "Iron content XFe: " << r_XFe << endl
+       << "Earth reference model: " << ERM->type().toUtf8().data() << endl
+       << endl;
+}
+
+void T2Rho::readFile() {
+  /**
+  * Basically everything happens in this function. This function reads the
+  * input file and directly computes the density. The result is written into
+  * the list data_out.
+  **/
+  double x, y, z, T, P;
+  bool okx, oky, okz, okT;
+  double T0 = 293.5;  // Reference temperature
+  double P0 = 0;      // Reference pressure
+  QRegExp separator("(\\s)");
+
+  cout << "Reading file: " << file_in.toUtf8().data() << endl;
+  QFile file(file_in);
+
+  if (file.open(QIODevice::ReadOnly)) {
+    QTextStream stream(&file);
+
+    while (!stream.atEnd()) {
+      QString t = stream.readLine().simplified();
+
+      if (!t.startsWith("#")) {
+        QStringList vals = t.split(separator);
+        if (vals.count() != 4) {
+          file.close();
+          cout << PRINT_ERROR "In header of " << file_in.toUtf8().data()
+               << ". Counting " << vals.count() << " entries instead of 4."
+               << endl;
+          exit(1);
+        } else {
+        x = vals[0].toDouble(&okx);
+        y = vals[1].toDouble(&oky);
+        z = vals[2].toDouble(&okz);
+        T = vals[3].toDouble(&okT);
+        // Directly compute density
+        P = ERM->pressure(z+1);
+        // Compute phase properties and density
+        double rho_avrg = 0;
+        for (int i=0; i < 5; i++) {
+          double dT = T - T0;
+          double dP = P - P0;
+          double m_K_PX = m_dKdP[i] + r_XFe*m_dKdPdX[i];
+          double K_T = m_K[i] + dT*m_dKdT[i] + dP*m_K_PX;
+          double rho_PTX = m_rho[i]*(1 - m_alpha0[i]*dT + dP/K_T)
+          + m_drhodX[i]*r_XFe;
+          rho_avrg += r_comp[i]*rho_PTX;
+        }
+        // Add result to output data list
+        data_out.append(Point5D(x, y, z, T, rho_avrg));
+        }
+      }
+    }
+  }
+}
+
+void T2Rho::writeFile() {
+  QString header;
+  // Get timestamp
+  QDateTime CurrentTime = QDateTime::currentDateTime();
+  QString timefmt = "yyyy-MM-dd hh:mm:ss";
+  QString timestamp = CurrentTime.toString(timefmt);
+  // General information string
+  header = QString("# Created: %1\n").arg(timestamp);
+  header += QString("# Input: %1\n").arg(file_in);
+  header += QString("# Pressure calculation method: %1\n").arg(PMethod);
+  header += QString("# Mantle composition:\n");
+  header += QString("# Ol - %1\n").arg(r_comp[0], 5, 'f', 2);
+  header += QString("# Opx - %1\n").arg(r_comp[1], 5, 'f', 2);
+  header += QString("# Cpx - %1\n").arg(r_comp[2], 5, 'f', 2);
+  header += QString("# Sp - %1\n").arg(r_comp[3], 5, 'f', 2);
+  header += QString("# Gnt - %1\n").arg(r_comp[4], 5, 'f', 2);
+  header += QString("# Iron content XFe: %1\n").arg(r_XFe, 3, 'f', 2);
+  header += QString("# Point data\n"
+                    "# Columns:\n"
+                    "# 1 - X\n"
+                    "# 2 - Y\n"
+                    "# 3 - Z / m\n"
+                    "# 4 - T / degC\n"
+                    "# 5 - Rho / kg/m3\n");
+
+  cout << "Writing output file " << file_out.toUtf8().data() << endl;
+
+  QFile tmp(file_out);
+  if (!tmp.open(QIODevice::WriteOnly | QIODevice::Text)) {
+    cout << PRINT_ERROR "Could not open file " << file_out.toUtf8().data()
+         << endl;
+    exit(1);
+  }
+
+  QTextStream out(&tmp);
+  out.setRealNumberPrecision(2);
+  out.setFieldAlignment(QTextStream::AlignRight);
+  out.setRealNumberNotation(QTextStream::FixedNotation);
+  out << header.toUtf8().data();
+  for (int i=0; i < data_out.length(); i++) {
+    out << data_out[i][0] << "\t"
+        << data_out[i][1] << "\t"
+        << data_out[i][2] << "\t"
+        << data_out[i][3] << "\t"
+        << data_out[i][4] << "\n";
+  }
+  tmp.close();
+}
+
+int main(int argc, char *argv[]) {
+  T2Rho converter;
+  if (argc > 0) {
+    converter.readArgs(argc, argv);
+    converter.info();
+    converter.readFile();
+    converter.writeFile();
+  } else {
+    converter.usage();
+  }
+}
\ No newline at end of file
diff --git a/src/T2Rho/T2Rho.pro b/src/T2Rho/T2Rho.pro
new file mode 100644
index 0000000..7b160d8
--- /dev/null
+++ b/src/T2Rho/T2Rho.pro
@@ -0,0 +1,29 @@
+################################################################################
+#                     Copyright (C) 2018 by Christian Meeßen                   #
+#                                                                              #
+#                          This file is part of VeloDT.                        #
+#                                                                              #
+#         VeloDT is free software: you can redistribute it and/or modify       #
+#     it under the terms of the GNU General Public License as published by     #
+#           the Free Software Foundation version 3 of the License.             #
+#                                                                              #
+#        VeloDT is distributed in the hope that it will be useful, but         #
+#          WITHOUT ANY WARRANTY; without even the implied warranty of          #
+#       MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU       #
+#                   General Public License for more details.                   #
+#                                                                              #
+#      You should have received a copy of the GNU General Public License       #
+#        along with VeloDT. If not, see <http://www.gnu.org/licenses/>.        #
+################################################################################
+TEMPLATE = app
+DESTDIR = ../../bin
+TARGET = T2Rho
+CONFIG -= app_bundle
+
+INCLUDEPATH += ../../include/common ../../include/T2Rho
+
+LIBS += -L../common -lcommon
+
+SOURCES += T2Rho.cpp
+
+HEADERS += ../../include/T2Rho/T2Rho.h