Changeset 06aedc for src/LinearAlgebra

Timestamp:

Apr 6, 2011, 1:50:30 PM (14 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

a9c556

Parents:

9b410d

git-author:

Frederik Heber <heber@…> (03/14/11 10:41:50)

git-committer:

Frederik Heber <heber@…> (04/06/11 13:50:30)

Message:

libMolecuilderLinearAlgebra is now a self-contained library fit for external use.

• added LinearAlgebra.pc.in and LinearAlgebra-debug.pc.in (both require CodePatterns, the latter CodePatterns-debug).
• added LINEARALGEBRA_SO_VERSION (set to 1.0.0) to configure.ac.
• moved NDIM from Helpers/defs.hpp to new file LinearAlgebra/defs.hpp.

Location:

src/LinearAlgebra

Files:

• BoxVector.cpp (modified) (1 diff)
• LinearSystemOfEquations.cpp (modified) (1 diff)
• Makefile.am (modified) (4 diffs)
• MatrixContent.cpp (modified) (1 diff)
• RealSpaceMatrix.cpp (modified) (1 diff)
• RealSpaceMatrix.hpp (modified) (1 diff)
• Vector.cpp (modified) (2 diffs)
• Vector.hpp (modified) (1 diff)
• defs.hpp (modified) (3 diffs)
• fast_functions.hpp (moved) (moved from src/Helpers/fast_functions.hpp )
• leastsquaremin.cpp (modified) (1 diff)
• unittests/MatrixUnitTest.cpp (modified) (1 diff)
• vector_ops.cpp (modified) (1 diff)

src/LinearAlgebra/BoxVector.cpp

@@ -16 +16 @@
 
 #include "LinearAlgebra/BoxVector.hpp"
+#include "LinearAlgebra/defs.hpp"
 #include "LinearAlgebra/Vector.hpp"
 

src/LinearAlgebra/LinearSystemOfEquations.cpp

@@ -20 +20 @@
 #include "CodePatterns/MemDebug.hpp"
 
-#include "Helpers/defs.hpp"
+#include "CodePatterns/Assert.hpp"
+#include "CodePatterns/logger.hpp"
+#include "LinearAlgebra/defs.hpp"
 #include "LinearAlgebra/LinearSystemOfEquations.hpp"
 #include "LinearAlgebra/MatrixContent.hpp"
 #include "LinearAlgebra/VectorContent.hpp"
-#include "CodePatterns/Assert.hpp"
-#include "CodePatterns/logger.hpp"
 #include "LinearAlgebra/Vector.hpp"
 

src/LinearAlgebra/Makefile.am

@@ -30 +30 @@
   defs.hpp \
   Eigenspace.hpp \
+  fast_functions.hpp \
   leastsquaremin.hpp \
   Line.hpp \
@@ -69 +70 @@
 ## library file (.so).  The library ABI version is defined in configure.ac, so
 ## that all version information is kept in one place.
-libMolecuilderLinearAlgebra_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
+libMolecuilderLinearAlgebra_la_LDFLAGS = -version-info $(LINEARALGEBRA_SO_VERSION)
 
 ## The generated configuration header is installed in its own subdirectory of
@@ -82 +83 @@
 ## configuration header file is generated at configure time and should not be
 ## shipped with the source tarball.
-#libMolecuilderLinearAlgebra_libincludedir = $(libdir)/MoleCuilder/include
-#nodist_libMolecuilderLinearAlgebra_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
+#libMolecuilderLinearAlgebra_libincludedir = $(libdir)/LinearAlgebra/include
+#nodist_libMolecuilderLinearAlgebra_libinclude_HEADERS = $(top_builddir)/libLinearAlgebra_config.h
 
 ## Install the generated pkg-config file (.pc) into the expected location for
@@ -89 +90 @@
 ## pkg-config files are also used for architecture-independent data packages,
 ## in which case the correct install location would be $(datadir)/pkgconfig.
-#pkgconfigdir = $(libdir)/pkgconfig
-#pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
+pkgconfigdir = $(libdir)/pkgconfig
+pkgconfig_DATA = $(top_builddir)/LinearAlgebra.pc $(top_builddir)/LinearAlgebra-debug.pc
 
 unity.cpp:

src/LinearAlgebra/MatrixContent.cpp

@@ -16 +16 @@
 #include "CodePatterns/Assert.hpp"
 #include "Exceptions/NotInvertibleException.hpp"
-#include "Helpers/defs.hpp"
-#include "Helpers/fast_functions.hpp"
 #include "LinearAlgebra/defs.hpp"
+#include "LinearAlgebra/fast_functions.hpp"
 #include "LinearAlgebra/MatrixContent.hpp"
 #include "LinearAlgebra/RealSpaceMatrix.hpp"

src/LinearAlgebra/RealSpaceMatrix.cpp

@@ -22 +22 @@
 #include "Exceptions/NotInvertibleException.hpp"
 #include "CodePatterns/Assert.hpp"
-#include "Helpers/defs.hpp"
-#include "Helpers/fast_functions.hpp"
 #include "LinearAlgebra/defs.hpp"
+#include "LinearAlgebra/fast_functions.hpp"
 #include "LinearAlgebra/MatrixContent.hpp"
 #include "LinearAlgebra/RealSpaceMatrix.hpp"

src/LinearAlgebra/RealSpaceMatrix.hpp

@@ -16 +16 @@
 
 #include <iosfwd>
-#include "Helpers/defs.hpp"
+
+#include "LinearAlgebra/defs.hpp"
+
 
 /**

src/LinearAlgebra/Vector.cpp

@@ -22 +22 @@
 #include "CodePatterns/Verbose.hpp"
 #include "Exceptions/MathException.hpp"
-#include "Helpers/defs.hpp"
-#include "Helpers/fast_functions.hpp"
 #include "LinearAlgebra/defs.hpp"
+#include "LinearAlgebra/fast_functions.hpp"
 #include "LinearAlgebra/Vector.hpp"
 #include "LinearAlgebra/VectorContent.hpp"
@@ -30 +29 @@
 #include <cmath>
 #include <iostream>
+#include <cmath>
 #include <gsl/gsl_blas.h>
 #include <gsl/gsl_vector.h>

src/LinearAlgebra/Vector.hpp

@@ -16 +16 @@
 #include <vector>
 
-#include "Helpers/defs.hpp"
+#include "LinearAlgebra/defs.hpp"
 #include "LinearAlgebra/Space.hpp"
 

src/LinearAlgebra/defs.hpp

@@ -1 +1 @@
 /*
  * defs.hpp
+ *
+ * Constant definitons and enumerations.
  *
  *  Created on: Mar 14, 2011
@@ -6 +8 @@
  */
 
-#ifndef LINEAR_ALGEBRA_DEFS_HPP_
-#define LINEAR_ALGEBRA_DEFS_HPP_
+#ifndef LINEARALGEBRA_DEFS_HPP_
+#define LINEARALGEBRA_DEFS_HPP_
 
 // include config.h
@@ -18 +20 @@
 #define LINALG_MYEPSILON numeric_limits<double>::epsilon()*100.
 
-#endif /* LINEAR_ALGEBRA_DEFS_HPP_ */
+enum { NDIM = 3 };   //!< number of spatial dimensions
+
+#endif /* LINEARALGEBRA_DEFS_HPP_ */

src/LinearAlgebra/leastsquaremin.cpp

@@ -22 +22 @@
 #include <iostream>
 
+#include "LinearAlgebra/defs.hpp"
 #include "LinearAlgebra/leastsquaremin.hpp"
 #include "LinearAlgebra/Vector.hpp"

src/LinearAlgebra/unittests/MatrixUnitTest.cpp

@@ -26 +26 @@
 
 #include "MatrixUnitTest.hpp"
+
+#include "Exceptions/NotInvertibleException.hpp"
 #include "LinearAlgebra/defs.hpp"
 #include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "LinearAlgebra/Vector.hpp"
-#include "Exceptions/NotInvertibleException.hpp"
 
 #ifdef HAVE_TESTRUNNER

src/LinearAlgebra/vector_ops.cpp

@@ -22 +22 @@
 #include "Exceptions/LinearDependenceException.hpp"
 #include "Exceptions/SkewException.hpp"
-#include "Helpers/fast_functions.hpp"
 #include "CodePatterns/Info.hpp"
 #include "CodePatterns/Log.hpp"
 #include "CodePatterns/Verbose.hpp"
+#include "LinearAlgebra/defs.hpp"
+#include "LinearAlgebra/fast_functions.hpp"
 #include "LinearAlgebra/leastsquaremin.hpp"
 #include "LinearAlgebra/Plane.hpp"