ChangeLog

2021-02-23 Jerome Pansanel

	* Release 1.0.1

	* Minor bug fix

	* Update contributor list

2019-11-20 Jerome Pansanel

	* Release 1.0.0

	* Bug fixes

2018-03-20 Jerome Pansanel

	* Release 0.9.4

	* Bug fixes

2015-10-27 Jerome Pansanel

	* Release 0.9.3

	* Fix a bug with match_substruct

	* Enhance Mac OS X support

2014-09-12 Jerome Pansanel

	* Release 0.9.2

	* Fix a bug related to argument checking

	* Add possibility to select database in unitary tests

	* Fix argument testing for functions running with binary data

2012-02-13 Jerome Pansanel

	* Release 0.9.1

	* Fix stereochemistry issue

2011-12-09 Jerome Pansanel

	* Release 0.9.0

	* Update the documentation

	* Fix a bug when loading Open Babel plugins

	* Add support for Open Babel 2.3.0

2011-04-04 Jerome Pansanel

	* Release 0.8.2

	* Fix a bug related to the fingerprint generation

	* Fix a bug related to OBMol object serialization

2010-09-07 Jerome Pansanel

	* Release 0.8.1

	* Fix URLs in Mychem documentation

	* Fix an important bug in the serialized function

	* Upgrade the test for molmatch functions

2010-07-06 Jerome Pansanel

	* Release 0.8.0

2010-07-06 Jerome Pansanel

	* Fix molmatch and property tests

2010-07-06 Jerome Pansanel

	* The documentation has been updated

2010-06-29 Jerome Pansanel

	* The mychemdb-manager.py script has been added

2010-06-10 Jerome Pansanel

	* MySQL 5.1 support added

2009-11-24 Jerome Pansanel

	* Build fix

2009-09-30 Jerome Pansanel

	* Release 0.7.0

2009-09-29 Jerome Pansanel

	* The documentation has been updated (new section about file formats)

	* Compilation under Microsoft Windows XP has been successfully tested

2009-09-15 Jerome Pansanel

	* The Mychem software has been completly rewritten

	* src/converion.c, src/conversion.h:
	  - mol2_to_molecule function added
	  - molecule_to_mol2 function added

	* src/helper.c, src/helper.h, src/helper_wrapper.h,
	  src/helper_wrapper.cpp
	  - inchi_version function added

	* Many bug fixes

	* If a function fails, it returns NULL

	* The Mychem3 documentation has been updated

	* Mychem2 is no longer supported

2009-06-03 Jerome Pansanel

	* src/conversion/conversion.c, src/conversion/conversion.h:
	  - pdb_to_molecule function added

2009-06-02 Jerome Pansanel

	* src/serialization.cpp, src/include/serialization.h:
	  - Serialization of OBMol object added

	* src/conversion/conversion.c, src/conversion/conversion.h:
	  - molecule_to_serializedOBMol function added

	* src/molmatch/molmatch_wrapper.cpp:
	  - structure_match is now using serializad OBMol object

2008-12-30 Jerome Pansanel

	* src/dlhandler_unix.cpp:
	  - Fix the dlhandler for Mac OS X

	* Documentation updated

	* Release 0.6.0

2008-12-10 Jerome Pansanel

	* Documentation updated

2008-12-05 Jerome Pansanel

	* Test code updated (switch from C to C++)

2008-12-02 Jerome Pansanel

	* Fix many code lines for an easy Win32 compilation

2008-11-21 Jerome Pansanel

	* src/molmatch/molmatch.c:
	  - bit_fp_or function added
	  - bit_fp_count function added

2008-11-20 Jerome Pansanel

	* src/molmatch/molmatch.c:
	  - bit_fp_and function added

2008-11-19 Jerome Pansanel

	* Default molecule type is now MOL

	* Mychem3 is fully working.

	* The Mychem3 documentation has been updated

	* Several bug fixes

2008-11-12 Jerome Pansanel

	* Default molecule type is now CML

	* src/conversion/conversion.c, src/conversion/conversion.h:
	  - molecule_to_inchi function added
	  - inchi_to_molecule function added

2008-11-11 Jerome Pansanel

	* CMakeLists.txt:
	  - The file has been updated to better handle the compiler flags

	* cmake/modules/MacroEnsureVersion.cmake:
	  - new file

2008-11-10 Jerome Pansanel

	* Add wrapper for the helper module (fix the include of babelconfig.h)

	* conversion, modification, molmatch and property modules:
	  - fix an important issue with the arguments given by MySQL

2008-06-19 Jerome Pansanel

	* Release 0.5.9

	* Bug fixes

2008-06-18 Jerome Pansanel

	* src/conversion/conversion.c, src/conversion/conservion.h:
	  - fingerprint3 function added
	  - fingerprint4 function added

	* doc/mychem/installation.xml:
	  - Description of the windows installation added
	  - Code formatting fixed

2008-06-16 Jerome Pansanel

	* Windows version of Mychem is working

2008-06-10 Jerome Pansanel

	* src/molmatch/molmatch.c, src/molmatch/molmatch.h,
	  src/molmatch/molmatch_wrapper.cpp,
	  src/molmatch/molmatch_wrapper.h,
	  src/molmatch/molmatch.sql:
	  - substruct_atom_ids function added

2008-04-08 Jerome Pansanel

	* Release 0.5.5

	* Fix some spelling in the documentation

2008-04-04 Jerome Pansanel

	* src/modification/modification.c, src/modification/modification.h,
	  src/modification/modification_wrapper.cpp,
	  src/modification/modification_wrapper.h,
	  src/modification/modification.sql
	  - strip_salts function added

	* src/conversion/conversion.c, src/property/conversion.h,
	  src/conversion/conversion_wrapper.cpp,
	  src/conversion/conversion_wrapper.h,
	  src/conversion/conversion.sql
	  - molecule_to_canonical_smiles function added

	* doc/mychem/command-reference.xml
	  - Add documentation for the new functions
	  - Update documentation for some functions

2008-03-29 Jerome Pansanel

	* src/property/property.c, src/property/property.h,
	  src/property/property_wrapper.cpp, src/property/property_wrapper.h
	  - is_2D function added
	  - is_3D function added
	  - is_chiral function added
	  - number_of_rings function added

2008-03-28 Jerome Pansanel

	* src/property/property.c, src/property/property.h,
	  src/property/property_wrapper.cpp, src/property/property_wrapper.h
	  - number_of_acceptors function added
	  - number_of_donors function added
	  - molpsa function added
	  - molmr function added
	  - mollogp function added

	* Updating doc/mychem/command-reference.xml

2008-03-19 Jerome Pansanel

	* Release 0.5.2

	* Updating doc and ChangeLog

2008-03-18 Jerome Pansanel

	* src/conversion/conversion.c, src/helper/helper.c,
	  src/modification/modification.c, src/property/property.c
	  - Fixing important bug; thanks to Bjoern Gruening !

2008-03-07 Jerome Pansanel

	* src/molmatch, doc/mychem/command-reference.xml
	  - Move match to match_substruct
	  - Add substruct_count

2008-03-05 Jerome Pansanel

	* Release 0.5.1

	* src/molmatch/, doc/mychem/command-reference.xml
	  - The FIND_SIMILAR() function has been removed

	* src/{module}/
	  - Split .c files in .c and .h
	  - Fix some spelling for _wrapper.cpp
	  - Add const and __attribute__((unused)) to some function definitions
	    (no warning left when compiling)

2008-02-29 Jerome Pansanel

	* Release 0.5.0

	* tests:
	  conversion_test.c tests molfile_to_molecule(), molecule_to_molfile(),
	  V3000_to_molecule(), molecule_to_V3000(), smiles_to_molecule(),
	  molecule_to_smiles(), cml_to_molecule(), molecule_to_cml(),
	  fingerprint()

	* src/conversion:
	  - conversion_wrapper.cpp has been modified to replace '\n' by '\0'

2008-02-27 Jerome Pansanel

	* tests:
	  property_test.c tests molweight(), exactmass(), number_of_atoms(),
	  number_of_heavy_atoms(), number_of_bonds(), number_of_rotable_bonds(),
	  molformula()
	  test_functions.{h,c} contains two functions useful for all modules.

2008-02-25 Jerome Pansanel

	* tests:
	  - CMakeLists.txt is working
	  - helper_test tests mychem_version() and openbabel_version()

	* doc/mychem:
	  - installation.xml has been updated to introduce the test process

2008-02-19 Jerome Pansanel

	* tests:
	  - Creation of the directory. The CMakeLists.txt, conversion_test.c,
	    helper_test.c, modification.c, molmatch.c and property_test.c files
	    have been added.

2008-02-18 Jerome Pansanel

	* Release 0.4.5

	* src:
	  - New directories (conversion, helper, modification, molmatch and
	    property) containing each a main module

	* src:
	  - New directory 'include'. It contains mychem/mychem_config.h.

	* doc:
	  - The documentation has been updated with a new troubleshooting
	    appendix and the description of 5 new functions for the property
	    module.

	* src/conversion:
	  - Some bug fixes

	* src/property:
	  - Five functions have been added (number_of_atoms,
	    number_of_heavy_atoms, number_of_bonds, number_of_rotable_bonds and
	    total_charge).

2007-10-17 Jerome Pansanel

	* src/conversion.c, src/conversion_wrapper.h,
	  - src/conversion_wrapper.cpp:
	  - Extending conversion functions

	* src/modification.c, src/modification_wrapper.h,
	  - src/modifcation_wrapper.cpp:
	  - Adding modification functions

	* src/helper.c:
	  - Common helper functions

	* doc/mychem:
	  - Update the documentation

	* script/mychemadmin:
	  - Fix some bugs
	  - Adding distutils script for the installation

	* Doxyfile:
	  - Update API documentation and generation options

	* Release 0.4

2007-08-17 Jerome Pansanel

	* src/conversion.c, src/conversion_wrapper.h,
	  - src/conversion_wrapper.cpp:
	  - Basic conversion functions are working

	* src/property.c, src/property_wrapper.h, src/property_wrapper.cpp:
	  - Basic property functions are working

	* script/mychemadmin:
	  - MychemAdmin, a GUI for database loading is available

	* Release 0.2

2007-06-28 Jerome Pansanel

	* Project initialization

	* first API draft

	* Release 0.1