issues: 88868867
This data as json
| id | node_id | number | title | user | state | locked | assignee | milestone | comments | created_at | updated_at | closed_at | author_association | active_lock_reason | draft | pull_request | body | reactions | performed_via_github_app | state_reason | repo | type |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 88868867 | MDU6SXNzdWU4ODg2ODg2Nw== | 435 | Working with labeled N-dimensional data with combinatoric independent variables | 6405510 | closed | 0 | 4 | 2015-06-16T23:49:42Z | 2016-05-17T22:48:44Z | 2016-05-17T22:48:44Z | NONE | Thanks for developing this exciting project. I'm a computational materials scientist trying to understand if xray is the right tool for my task. For https://github.com/richardotis/pycalphad/issues/15 I'm developing an interface for a thermodynamic computation in N dimensions. You can see a simple example of what I'm doing in this notebook: http://nbviewer.ipython.org/github/richardotis/pycalphad/blob/fitting/research/BroshPressureTest.ipynb In this case I'm performing a computation for all combinations of 50 temperatures and 50 pressures for a total of 50 x 50 = 2500 distinct systems. You can see in the linked notebook that I'm using a DataFrame for storing an intermediate result of the computation. This will continue to work as I add more dimensions, but the drawbacks are performance degrades rapidly and this flattened representation of the data in the DataFrame very quickly blows through memory; you can see that the simple example I linked already has 10 million rows in the DataFrame, with lots of repeats for the independent variables (temperature, pressure). What I'm thinking is to construct a DataArray or Dataset which, for each set of independent variables specified in the conditions, stores the chemical potentials and stable phases, their compositions, and the fractions present in the system (essentially the result of lower_convex_hull). Would this be a good candidate for xray? It needs to be easy to retrieve results for specific conditions, or sets of conditions, and ideally I could use the same object for intermediate steps in the computation, e.g., I could iteratively update the chemical potentials and stable phases associated with each set of conditions in a DataArray or Dataset, and eventually return that object to the user/plotting routine/whatever. |
{
"url": "https://api.github.com/repos/pydata/xarray/issues/435/reactions",
"total_count": 0,
"+1": 0,
"-1": 0,
"laugh": 0,
"hooray": 0,
"confused": 0,
"heart": 0,
"rocket": 0,
"eyes": 0
} |
completed | 13221727 | issue |