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choderalab / itctools

Tools for setting up ITC experiments in an automated fashion using the Tecan EVO and Auto-iTC 200.
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Rescaling for ITC(Heuristic)Experiment needs to support rescaling concentrations for more experiments #29

Open bas-rustenburg opened 9 years ago

bas-rustenburg commented 9 years ago

Right now, only host/protein into guest/buffer/drug titrations are supported correctly. We need to add support for a matrix of possibilitites.

from\to          |  drug/guest | protein/host | buffer/solvent |    
drug/guest       |             |              |
protein/host     |             |     works    |
buffer/solvent   |             |              | pass
bas-rustenburg commented 9 years ago

I currently get an attribute error whenever I try to rescale a Labware object (which typically points to a buffer through). I would probably only need to put in an except statement and skip over the rescaling of either the cell or the syringe.

After implementing that, we should ensure everything is functional by writing unit tests. I might just decide to merge the current test PR #22 so that the structure is in place.