Opened 9 years ago

Closed 9 years ago

#221 closed enhancement (fixed)

us_predict1/2 - add solution button

Reported by: demeler Owned by: bdubbs
Priority: normal Milestone: future
Component: ultrascan3 Version:
Keywords: review Cc:

Description

In addition to the density, viscosity and vbar buttons, it would be nice to add a solution button. When selected, it would also update density and vbar (to commonVbar).

Attachments (1)

predict2.png (53.7 KB) - added by demeler 9 years ago.

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Change History (9)

comment:1 Changed 9 years ago by bdubbs

  • Status changed from new to assigned

comment:2 Changed 9 years ago by bdubbs

I have been looking at adding this capability to us_predict2. Bringing up the solution window is no problem and getting the commonVbar, density, and viscosity is also easy.
Setting the D or s value would still be a manual operation.

However, what do I use for MW? The solution will retrieve a list of analytes. Do I just sum the MW values of each analyte? Do I insist (or allow) a manual update?

Since we are looking at the dimensions of the axes of a sphere/spheroid, volume, etc, does a solution with more than one analyte make any sense?

comment:3 Changed 9 years ago by demeler

I recommend to check if there is just one solute in the solution (this will be the vast majority of the cases). If so, I would suggest the MW of this one component, as well as the density/viscosity. The user should still have the ability to override. For cases with multiple solutes you could offer the user to pick one from the list and then just use its vbar, or just pick the first one as a suggestion. In either case the user should be allowed to override.

And yes, the hydrodynamic calculations do make sense. as long as you just pick one analyte.

comment:4 follow-up: Changed 9 years ago by bdubbs

I have added a solution button for us_predict2. See if it looks OK and, if so, I'll add it to us_predict1 too.

See revision 1113.

comment:5 in reply to: ↑ 4 Changed 9 years ago by demeler

Replying to bdubbs:

I have added a solution button for us_predict2. See if it looks OK and, if so, I'll add it to us_predict1 too.

See revision 1113.

Looks great, the only issue is that when you have not selected a combination yet, and you pick the solution, it already starts calculating without having the entry values defined. This leads to invalid values in various fields, see attached. So the calculation should not be performed until all required variables are defined.

Changed 9 years ago by demeler

comment:6 Changed 9 years ago by bdubbs

You think mw of 1.5e+10 is a little too large?

I changed the code for it to default to a combination os s/D. You can tell by the labels. I'll change the code so calculations don't start if the fields are equivalent to zere (or blank).

comment:7 Changed 9 years ago by bdubbs

  • Keywords review added

Fixed for both us_predict1 and us_predict2 in revision 1117.

comment:8 Changed 9 years ago by dzollars

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