Monday, November 10, 2008
In some case, the return value of Mychem functions was blank and no error were raised.
Fredrik Wallner has founded that setting a character at the end of the string to '\0' fixes this issue.
The old code:
const char *inputMol = args->args;
The new code:
char *inputMol = (char *) malloc(sizeof(char)*(args->lengths+1));
strncpy(inputMol, args->args, args->lengths);
inputMol[args->lengths] = 0;
This indicates that the character string given by MySQL as parameter does not contains the '\0' character at the end.
Many thanks to Fredrik Wallner !
The road is now open to go to the next release (0.6.0)
Saturday, June 14, 2008
After some works on the source files and tuning Microsoft Visual Express C++, I'm proud to announce that Mychem is working on Microsoft Windows XP.
The Microsoft Windows version of Mychem will be released soon. The Mychem documentation will also contain a section about the compilation and the installation of Mychem on Windows XP.
Tuesday, April 08, 2008
The version 0.5.5 of Mychem has been released on 2008-04-08. The main changes are:
- New functions:
- Bug fixes
- Updated documentation
The Tanimoto function has been enhanced by two methods. The first was to store the
fingerprint as binary string. The second was to implement directly the tanimoto algorithm. Now, the Tanimoto coefficient computation of more than 70.000 entries takes less than 0.4 second on my laptop.
Friday, February 22, 2008
The last version is v0.4.5 and has been released on 2008-02-18.
There are three major updates in this version:
- The build system has been modified (each module is in a directory)
- Five function have been added to the property module
- The documentation has now a troubleshooting appendix
Tuesday, January 15, 2008
Each structure can be accessed through a web interface. Structure are displayed with the Jmol applet. These html pages contain also Microformat data (InChI and SMILES).
The project has been translated into 5 languages (english, dutch, french, german and spanish) and new languages can be easily added by editing a single file.
The project is actually used in german and french schools.