New tool for spectrum simulation

[lpatiny]

We published (with Julien) a nice algorithm that allows to simulate second order effect of NMR spectra and I would like to add this tool as well directly in NMRium.

We would need a new 'Panel' : 'Spin system simulation'

I will have a drop down menu from 'AB' to 'ABCDEFGH'.

In the first column of the rows instead of '1, 2,....' please put 'A, B, ...' (it is currently confusing)

In the coupling instead of J1-, J2- ... Please also use JA- JB- ...

This panel is only visible for 1D spectra. When the panel is open the simulated spectrum is visible and changes on the fly.

A button allows to add the spectrum in the list of currently selected nucleus.

In the panel we could also add the text:

Reference

If you use this tool please don't forget to cite us: Fast and Accurate Algorithm for the Simulation of NMR spectra of Large Spin Systems. Andrés M. Castillo, Luc Patiny and Julien Wist Journal of Magnetic Resonance 2011. 10.1016/j.jmr.2010.12.008

This functionality should be hidden behind the 'Experimental feature'

[lpatiny]

Reference tool:

https://www.cheminfo.org/?viewURL=https%3A%2F%2Fcouch.cheminfo.org%2Fcheminfo-public%2F4b7669c5ec0a15e6fb3994f53b950277%2Fview.json&loadversion=true&fillsearch=Simulate+spin+system

https://github.com/NPellet/visualizer/blob/master/src/modules/types/science/spectra/nmr/webservice_nmr_spin/view.js

https://github.com/NPellet/visualizer/blob/master/src/modules/types/science/spectra/nmr/webservice_nmr_spin/controller.js

In the new tool it should use:

• https://github.com/cheminfo/nmr-processing/blob/main/src/signals/simulation/simulate1D.ts
• https://github.com/cheminfo/nmr-processing/blob/main/src/signals/simulation/__tests__/splitSpinSystem.test.ts