Created a new reader and corresponding test for the L777 link of Gaussian. Made a correction to the way the couplings are stored in the properties. Coupling values are now stored as Double. Updated the test for coupling values. I still consider only proton NMR parameters.
Adapted the classes to calculate the spectra for the vibrational corrections. Removed the use of Float and now one uses always Doubles.
New Examples of NMR spectra and tests for the readers and apodizationtool.
New examples of file formats
Developed new readers for the Bruker fid's and also some classes to processes the spectra
Added FFT library dependance. Removed classes and target dir from being tracked.
Changed cdk-extra version to standard one, renamed Luis's FastFourierTransformTool and extracted interface to use with other implementations. Changed unnecessary static typing in some classes..
Major refactoring and rename of project to nmr-fid.
Added licensing. First "working" version incorporating JTransform.
Stopped tracking several files
Improved the domain generation for the spectra graph. Added a function to get only the real values (every other value in the resulting file from the fft complex forward).
Merge branch 'master' of https://github.com/LuisFF/nmr-fid-tool