Release 0.7.0 (November 5) ============================ * Many internal changes regarding rendering of Explorer objects * Project file logic started to becomes useful * Added a message container (non IPC) * Added a Message processor as well * Refactored Thread class * Compiled with Visual Studio * Updated for file name changes * Fixed molecule name in CML format reading/writing * Renamed mtk::Exception to DSLException to avoid name class with the VCL * Added purge function to the Explorer * Added reset function to Moleculix Project * Got loading/saving molecular format to project file working * Various cleanup in atomset and bondset classes * Added dfCML enum (data format CML) * Added molecule loading of CML format data * Renamed ProjectFile (base) class to ProjectFile * Added XML utility unit * Refactoring: Removed many functions with multiple interfaces (pointers and references). Favor references. * Updated Projectfile reading and creation of ExplorerObjects * Improved project properties * Added function to add ExplorerObjects to a projects XML * Added code to save AxisSystem to a Moleculix project * Added isModified flag to Project class * Added a gEOL constant * Refactoring: StringList add -> append * Working on getting iniFile reading writing of project and file history * Removed synProjectFiles script * Added Borland Project files to source tree * Updated label visibility properties * Made AtomView to inherit from Sphere object (isA) * Added SetVisibility function to ExplorerObject * Added a MoleculixUtils unit * Added BallAndStickView class, inheriting from Molecule view * Getting hiding & showing atoms and bonds working with tree view Release 0.6.6 (October 22) ============================ * Updated Python examples using some new contructs * Updated constness of Parent * Implementing object hierarchy design for explorer objects * Adding more CXX examples * Fixed bug related to translating a molecule * Added example for translating a molecule in 3D space * Updating Python examples to work with new semantics * Removed some obsolete code * Added ProjectFile sources to CMake System * Updating CMake files * Implemented isVisible() function for Atom and AxisLabels * Getting Explorer object tree philosophy implemented * Added ExplorerTree class. * Improved the adding of ExplorerObjects and its siblings, to the explorer * Got PDB reading re implemented after refactoring * Refactored many enums * Continuing re factoring efforts * Getting the whole code base in better shape for moleculix desktop. * Updated how atoms and bonds are translated and rotated involving such operations * Getting new molecule model implemented.. * Refactoring: * mtkBond to Bond * mtkSingleBond to SingleBond * Got bond coloring and highligthing implemented * Added Line explorer object, with wire and tube representation. * Changed all vtk objects to use vtksmart pointers * More refactoring * Refactoring: Getting different bond types implemented * Refactoring: Viewers -> View * Added a Moleculix logo * In middle of total refactoring effort * Refactoring Molecule => Molecular Assembly * Refactoring Residue -> Molecule * Refactoring Molecule, Residue etc... * Updated Point class * More refactorign * More refactoring * Refactoring: mtk3DPoint -> Point * Refactoring: mtkExplorerText -> ExplorerText * Beginning refactoring to make all class member functions start with lower case letter.. phu.. * Substantial refactoring.. * Refactoring Atom classes * AtomViewer -> AtomView * Updated surface explorer object * Refactoring: ToDeg -> toDegree * Refactoring: ToRad -> toRadians * More rendering updates * Improving 3D axes rendering * Improved 3D text rendering * Improving library linking * Added tag property to explorer objects * Added more automatic linking files * Implemented setting visibility for multi actor explorer object * Refactoring: Euler -> EulerMatrix * mtkEulerAngle -> EulerAngle * Refactoring: mtkAxisSystem -> AxisSystem * Simplifying backend vtk object creation * Created ExplorerObjects and ExplorerObject classes * Simplifying linking * Added widen string utility function. * Added Camera member to explorer * Added Demo project file folder * Got saving of camera properties working * Implemented reading of Camera properties from project xml * Merge branch 'develop' of https://bitbucket.org/TotteKarlsson/moleculix into develop * Added autolink files * Removed obsolete files * Organizing files somewhat * Implementing project file support * Cleaning up * Adding project file functionality to moleculix class * Added third party library tinyxml to handle projectfile xml * Moved some platform dependent code to platform header, source * Removed linking to boost threads * Added some logging to opening closing database Release 0.6.5 (September 23) ============================ * Added Moleculix Icon to installer (Red Hat) * Changed output folder for python examples * Updated Notice and Readme information * Compiled DSL IPC module * Removed obsolete pragmas (when included in borland packages) * Updated Stringlist constructor Release 0.6.4 (September 10) ============================ * Added libCURL to ThirdParty sources. Will be used to check for remote version * Added Version class. Version class contain operators for comparison * Added new splitString functions that keep empty records when splitting strings (split) * Adding functionality to check for updates * Adding some thread work * Added rgbToString utility function * Fixed bug preventing MoleculixLibrary Manager to run when installed to C:\program files * Fixed bugs related to various molecular views, such as skinny, wireframe and vanderwalls views Release 0.6.3 (August 15) ============================ * Added a surface to python cube example * Started adding atomic elements to the Python wrapper * Adding some color enhancements * Adding surface to cmake system * Fixing python inheritance issues * Adding surface objects to be rendered from python * Fixed render window title issue * Fixed some compiler warnings * Set name of render window to Moleculix... * Created a color class * Cleaned up how colors are treated * Improved how background color is set in the explorer * Added the explorer as a new Python object * Fixed CPack path issue. Now make install works as well as make install package on Linux * Changed install paths on linux * Working on points * Fixed visualization of planes, surfaces * Updated rendering of 3D curves * Cleaned up code to visualize 3D curves * Creating more Examples; Surfaces, Trajectories, Planes * Changed CMake file so default build is the Moleculix Python module * Changed CMake default Build Type to be Release Release 0.6.2 (August 08) ============================ * Added example to place out atoms in space * Added 'SkinnyView' function to molecules * Added a SetCenter() function to Atoms that takes a double*, should maybe be double [3] if that is possible.. * Added auto libs include file * Library updated so it compiles with CodeGear and vtk 6.1 * Cleaning out some obsolete files in the repository * Added empty bucky ball script Release 0.6.1 (August 02) ============================ * Added python script to get information about current release * Fixed bug when creating bonds to sulfur atoms, as could be seen - in cystein amino acids * Updated install script for windows. * Disable Nuclear Spin features for the moment * Added some files for release process * Refactoring * Removed inheritance Nucleus and BondGeometry in Atom class * Added ability to render atom ids instead of labels * Fixed error message regarding the 'END' line in PDB data. * Use setup.py on MAC OSX for installation Release 0.6.0 (July 30) ============================ * raven.db -> moleculix.db * Refactoring Raven -> Moleculix * Fixed some vtk macros * Now using vtk 6.1 * Added simple example with two Start calls to the interactor (bug on MACOSX) * Updated examples * Added cxx example that reads one molecule from the database * Added Python example that demonstrate how to extract all bond lengths in a molecule * Added more vtk examples * Organizing Examples * Compiled with latest vtk 5.10.2 * Added new python example - sugar puckering. Not finished yet. * Start passing references to real objects in interfaces instead of pointers.. or both? * MacOSX first succesfull compilation Release 0.5.6 (July 21) ============================ * Adding nsis installer for windows * Fixed more atom memory leaks * Added simple reference count of atoms in AtomSet class * Fixed rendering of bond thicknesses, indirect bond colors * Improved rendering of indirect bonds * Removed borland project files from source tree * Removed obsolete Wrappers, C and CTypes efforts * No coredumps on linuxgit status Release 0.5.5 (July 17) ============================ * This version runs all python examples on windows with no issues * Fixed allocation issue in BondGeometry class * Added ethanol example to C++ Examples * Many CMake modifications to allow for a simpler build * Several code improvements in atom and bond classes * Simplifying building * Don't install mtk data files * Cleaning up ThirdParties.. no more part of main repository * Update to report gcc version Release 0.5.4 (July 15) ============================ * This version compiles on Ubunut 14.04 - experimental * Updated VTK to version 5.10.1 * Enabled some POCO Cmake stuff * Fixed vtk memory leaks. Now Moleculix works within an internal python session * Fixing VTK initialization code, memory leaks * Fixed case on VERSION.txt * Built Moleculix after merging linux changes * Linux Fixes * Getting towards python module on linux * Compiled raven using GCC * Compiled DSL succesfully using gcc 4.8.1 * Added poco submodule * Updated NOTICE.txt * Added a 'pure' vtk examples Release 0.5.3 (July 10) ============================ * Added C++ example on how to retrieve Raven information * Added API function to retrieve SQLite version -> getSQLiteVersion() * Simplified how an explorer is created. Use Open to open an explorer, openExplorer using a ravenobject * Changed query so loadMolecule() searches all molecule name filelds, i.e. short_name. long_name etc.. * Changed database schema so that molecule names are case insensitive. * Added DB schema * More DB updates * Updated names of database tables. Use plural on tables holding multiple records, e.g. compounds instead of compound * Updated database with all aminoacids Release 0.5.2 (June 29) ============================ * Updated Python examples to use new API Functions * Updated version numbers * Changed renderInteractive() API function to explore() * Added openExplorer API function * Updated sphinx pages Release 0.5.1 (June 23) ============================ * Added license file * Added version/copyright info code * Added script to cycle trough the molecules in the database * Moving all examples to example folder in Raven root Release 0.5.0 (June 20) ============================ * Initiated effort to bring Raven-Python to public domain ------------------------- 2014 ------------------------------------