Merge branch 'develop' of apps.jcns.fz-juelich.de:BornAgain into develop

Conflicts:
	Core/Core.pro
	Examples/Performance/perf_history.txt
	Fit/Fit.pro

Core/Core.pro

@@ -6,7 +6,7 @@ TEMPLATE = lib
 CONFIG  += plugin # to remove versions from file name
 QT      -= core gui
 QMAKE_EXTENSION_SHLIB = so # making standard *.so extension
-#CONFIG  += BORNAGAIN_PYTHON
+CONFIG  += BORNAGAIN_PYTHON
 
 # -----------------------------------------------------------------------------
 # source and headers
@@ -135,7 +135,6 @@ HEADERS += \
     Tools/inc/AxisDouble.h \
     Tools/inc/Bin.h \
     Tools/inc/Convolve.h \
-    Tools/inc/Coordinate3D.h \
     Tools/inc/CoreOptionsDescription.h \
     Tools/inc/DoubleToComplexInterpolatingFunction.h \
     Tools/inc/DoubleToComplexMap.h \

Core/Samples/inc/ISelectionRule.h

@@ -3,7 +3,7 @@
 //  BornAgain: simulate and fit scattering at grazing incidence
 //
 //! @file      Samples/inc/ISelectionRule.h
-//! @brief     Defines class ISelectionRule.
+//! @brief     Defines classes ISelectionRule, SimpleSelectionRule
 //!
 //! @homepage  http://apps.jcns.fz-juelich.de/BornAgain
 //! @license   GNU General Public License v3 or higher (see COPYING)
@@ -16,7 +16,11 @@
 #ifndef ISELECTIONRULE_H_
 #define ISELECTIONRULE_H_
 
-#include "Coordinate3D.h"
+#include "BasicVector3D.h"
+
+typedef Geometry::BasicVector3D<int> IndexVector3D;
+
+//! Pure virtual base class for selection rules.
 
 class ISelectionRule
 {
@@ -28,6 +32,8 @@ public:
     virtual bool coordinateSelected(const IndexVector3D &coordinate) const=0;
 };
 
+//! Selection rule (v*q)%modulus!=0, defined by vector v(a,b,c) and modulus.
+
 class SimpleSelectionRule : public ISelectionRule
 {
 public:
@@ -42,12 +48,9 @@ private:
     int m_mod;
 };
 
-inline SimpleSelectionRule::SimpleSelectionRule(int a, int b, int c,
-        int modulus)
-: m_a(a), m_b(b), m_c(c)
-, m_mod(modulus)
-{
-}
+inline SimpleSelectionRule::SimpleSelectionRule(
+    int a, int b, int c, int modulus)
+    : m_a(a), m_b(b), m_c(c), m_mod(modulus) {}
 
 inline SimpleSelectionRule* SimpleSelectionRule::clone() const
 {

Core/Tools/inc/Coordinate3D.h

-// ************************************************************************** //
-//
-//  BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file      Tools/inc/Coordinate3D.h
-//! @brief     TODO: This file should be eliminated.
-//!
-//! @homepage  http://apps.jcns.fz-juelich.de/BornAgain
-//! @license   GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2013
-//! @authors   Scientific Computing Group at MLZ Garching
-//! @authors   C. Durniak, G. Pospelov, W. Van Herck, J. Wuttke 
-//
-// ************************************************************************** //
-
-#ifndef COORDINATE3D_H_
-#define COORDINATE3D_H_
-
-#include "BasicVector3D.h"
-
-typedef Geometry::BasicVector3D<int> IndexVector3D;
-
-#endif /* COORDINATE3D_H_ */

Examples/Performance/perf_history.txt

@@ -202,3 +202,10 @@
 # (and ./App --mesocrystal2 gives  23.74 (4 threads), 51.54 (1 thread))
 2013-03-22 17:05:17 | jcnsopc73  | macosx64, 2800 MHz      | 298507  | 24.0964 | 24.6914 | 6.25    | 
 2013-03-22 17:05:32 | jcnsopc73  | macosx64, 2800 MHz      | 294118  | 24.3902 | 25      | 6.25    | 
+
+2013-03-22 16:25:07 | o2         | linuxx8664gcc, 1600 MHz | 259740  | 11.6279 | 11.4943 | 3.50877 | 
+2013-03-22 16:29:12 | o2         | linuxx8664gcc, 1600 MHz | 266667  | 10.8108 | 10.582  | 3.33333 | 
+2013-03-22 16:29:45 | o2         | linuxx8664gcc, 3101 MHz | 263158  | 11.6279 | 11.4286 | 3.50877 | 
+2013-03-22 16:31:37 | o2         | linuxx8664gcc, 1600 MHz | 263158  | 11.5607 | 11.1111 | 3.38983 | 
+2013-03-22 16:31:46 | o2         | linuxx8664gcc, 3101 MHz | 263158  | 11.5607 | 11.3636 | 3.50877 | 
+2013-03-22 16:31:57 | o2         | linuxx8664gcc, 1600 MHz | 263158  | 10.8696 | 10.6952 | 3.38983 | 

Fit/Fit.pro

@@ -6,7 +6,7 @@ TEMPLATE = lib
 CONFIG  += plugin # to remove versions from file name
 QT      -= core gui
 QMAKE_EXTENSION_SHLIB = so # making standard *.so extension
-#CONFIG  += BORNAGAIN_PYTHON
+CONFIG  += BORNAGAIN_PYTHON
 CONFIG  += BORNAGAIN_ROOT
 
 # -----------------------------------------------------------------------------

Macros/BoostPythonGenerator/Makefile

-# generate aditional code for GISASFW Python API
-
-default: build
-
-build:
-	python codegenerator.py make
-
-install:
-	python codegenerator.py install
-
-
-
-.PHONY: clean
-
-clean:
-	rm -r -f output
-	rm -f *~
-	rm -f named_tuple.py
-	rm -f *.pyc
-	rm -f exposed_decl.pypp.txt