Opened 9 years ago

Closed 9 years ago

#178 closed enhancement (fixed)

Meniscus fit imports

Reported by: demeler Owned by: gegorbet
Priority: normal Milestone: 1.0
Component: ultrascan3 Version: 1.0
Keywords: review Cc:

Description

We need a way to import the meniscus fitting results into the meniscus fitter (both from fits done using the desktop 2DSA version, and also from the backend). Once in the fitter, the user should have the option of updating the edit profile for the experiment with the fitted value. I propose to create a new table in the database that will capture the X/Y dataset of meniscus position vs. RMSD, including GUID so it can also be saved on disk, and then also associate this table with the editing profile, triple and experiment so the fitted value from the meniscus fitter can be easily associated with the correct dataset. This will require changes in the meniscus fitter. While this may be more than we want to tackle before the workshop, for now we should at least save this information in results/runid/meniscusfit-triplename-editprofile.dat and add a "Load" button to the meniscus fitter so this file can be loaded. Then the user can still manually update the edit profile. We should also modify the edit program so that the suggested name for the edit profile remains the same when prior edits are applied. This way the edit profile that was used to generate the original fitting data remains properly linked to this update.

Change History (5)

comment:1 follow-up: Changed 9 years ago by bdubbs

When running from the back end, each meniscus fit produces a model. The meniscus associated with that run is already saved in the DB model table. With an appropriate query, the data could be imported into meniscus fit.

I'm not sure about where the GUI version of 2dsa saves this data.

I'm a little uncomfortable with updating edit data in this manner as opposed to creating a new edit xml file. If we dot it, there should be another attribute in the xml. Something like fitted='true'.

This should probably be labeled an enhancement, not a defect. It is a new requirement.

We are supposed to be at a feature freeze until after the workshop.

comment:2 in reply to: ↑ 1 Changed 9 years ago by demeler

Replying to bdubbs:

When running from the back end, each meniscus fit produces a model. The meniscus associated with that run is already saved in the DB model table. With an appropriate query, the data could be imported into meniscus fit.

OK, that's good. The same should happen for the desktop version when DB is selected and the data are saved. An equivalent file on disk with these results is still needed where this information can be obtained. Presumably there should be a disk and DB method for extracting meniscus data from each model data that the meniscus fitter can use.

I'm not sure about where the GUI version of 2dsa saves this data.

It appears in the report.

I'm a little uncomfortable with updating edit data in this manner as opposed to creating a new edit xml file. If we dot it, there should be another attribute in the xml. Something like fitted='true'.

Is there another way that assures that the user will get the correct edit profile, incl. the new meniscus? The edit profile is linked to each model, so now we would break that link if we did what you suggest.

This should probably be labeled an enhancement, not a defect. It is a new requirement.

It's a defect right now because there is no straightforward way to actually use the meniscus data. This must be fixed as part of beta.

We are supposed to be at a feature freeze until after the workshop.

As I said in the original ticket, the 'right' way to do it with db/disk operation can wait until after the workshop, but we need some method for right now so people can do meniscus fits and actually use the data (without manually picking the numbers from individual files!).

comment:3 Changed 9 years ago by gegorbet

  • Keywords review added
  • Owner changed from demeler, dzollars, gegorbet, dubbs to gegorbet
  • Status changed from new to assigned
  • Type changed from defect to enhancement
  • Version set to 1.0

Modifications have been made to us_2dsa and us_fit_meniscus, as well as to various library routines. A "Save" in 2dsa outputs a fit .dat plaintext file. With File->Load in us_fit_meniscus, this file can be loaded. When it is loaded, the plot is displayed and a fitted meniscus value shown.

The meniscus fit plain text table of meniscus,rmsd pairs is actually output both to the reports/<runID> directory (for display by us_reporter) and to results/<runID> for loading by us_fit_meniscus. The later file is of the form "2dsa-fm.<editID>-<triple>.fit.dat". In us_fit_meniscus, the File->Load dialog starts in the resultDir() directory, so the user need only open the runID directory and then open a fit file with the right editID and triple node.

comment:4 Changed 9 years ago by gegorbet

A new "Update Edit" button has been added. When it is clicked, the appropriate edit file is updated with the meniscus value in the line edit (automatically put there when a file is loaded, but also editable).

This provides a way to show meniscus fit in the workshop, working with local files. Modifications to handle database versions (and, therefore, outputs from backend 2dsa) can be added in the future.

comment:5 Changed 9 years ago by dzollars

  • Resolution set to fixed
  • Status changed from assigned to closed
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