This a shareware program which I wrote to calculate Isotopic Ratio Patterns for molecular fragments. We have used it here at Waikato for awhile now and there doesn't appear to be any problems with it ( although nothing is bug free ). Full online help is available.
This should replace version 1.6.3 in your archive.
Les Arnold.
Changes Since version 1.6.1
• Isotope Pattern Calculator 1.6.2 January 14, 1992.
Fixed bug in formula parser which interpreted "H2o" as "Ho2" instead of reporting an input error.
Modified the Customise Window so that the default abundances are displayed in a separate list from the custom abundances.
• Isotope Pattern Calculator 1.6.3 June 11, 1993.
The format of both the saved data file and the element/group abundances have changed in version 1.6.3. While all data files created with earlier version of Isotope™ are meaningless to versions 1.6.3 and later, the custom abundances are converted to the new format the first time Isotope™ version 1.6.3 is run.
Changed molecular weight type from integer to longint so that Mr's greater than 32767 amu are now calculated correctly.
Fixed bug which caused the progress bar to be drawn incorrectly in some instances.
Changed the display of isotope patterns in the Main Window. The display was dependent on the current calculation mode it is now dependent on the mode used to calculate the pattern being displayed.
Fixed code that draws and scrolls the text in the Customise Window.
Renamed the "OK" button on the Help Window to "Done" to better reflect its function.
Modified the calculate function
- so that predefined patterns for the multiples 1000, 100 and 10 of C,H,N,O and P are used.
- instead of returning an error message if the pattern will become too large both ends are clipped until the number of isotopes is less than 500 or the outer peaks are greater than 0.00001 if the later becomes true before the former then the error message is still returned.
Fixed display of patterns in the Display Window for larger font sizes.
Changed display so that if a bar width of zero is calculated then the gap between the bars is reduced towards zero to get a visible bar.
• Isotope Pattern Calculator 1.6.4 December 22, 1993.
Calculated patterns are now displayed graphically in the main window if you have a large enough monitor. 480 pixels high should be large enough.
Added standard progress bar colours to the progress bar procedure.
The custom records no longer scroll as they are being built.
Found and fixed a bug in a VBL task of the calculate routine used to update the progress window while an Isotope Pattern was being calculated. An illegal system call was being made which moved memory and caused the system to hang on many 68040 based machines.
This error had the potential to crash any 680x0 system.
Fixed updating of scroll bar when data is added to a custom record from the Data Menu.
Removed the code from the customise module that caused the scroll bars to be continuously redrawn.
Fixed bug in moveItem() which caused controls to be scaled incorrectly.
A few other minor cosmetic changes were also incorporated.
