aliases

[dwinston]

How can we document aliases in a graceful way within this repo? Current aliases accepted for materials queries:

energy = final_energy
energy_per_atom = final_energy_per_atom
formula = reduced_cell_formula
final_structure = structure
band_gap = band_gap.search_gap.band_gap
tags = exp.tags
crystal_system = spacegroup.crystal_system
material_id = task_id

[dangunter]

Github can track symbolic links

Dan Gunter

On Mon, Apr 13, 2015 at 9:19 PM, Donny Winston notifications@github.com
wrote:

How can we document aliases in a graceful way within this repo? Current
aliases accepted for materials queries:

energy = final_energy
energy_per_atom = final_energy_per_atom
formula = reduced_cell_formula
final_structure = structure
band_gap = band_gap.search_gap.band_gap
tags = exp.tags
crystal_system = spacegroup.crystal_system
material_id = task_id

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#7.

[dwinston]

I don't want to symbolically link band_gap to band_gap.search_gap.band_gap. And it seems that git (and github) track symbolic links (so you can version-control them), but github doesn't follow them when you navigate the filesystem via the web UI, which is what I was hoping.

Perhaps we could have a folder aliases as a sibling of materials with READMEs that linked to the aliased (sub)properties' READMEs?

[dangunter]

Dan Gunter

On Wed, Apr 15, 2015 at 4:16 PM, Donny Winston notifications@github.com
wrote:

I don't want to symbolically link band_gap to band_gap.search_gap.band_gap.
And it seems that git (and github) track symbolic links (so you can
version-control them), but github doesn't follow them when you navigate
the filesystem via the web UI, which is what I was hoping.

Perhaps we could have a folder aliases as a sibling of materials with
READMEs that linked to the aliased (sub)properties' READMEs?

Yes, that would work. I didn't realize that github didn't "honor" the
symlinks, but that makes sense given that git doesn't really have a "file"
as a fundamental concept.

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#7 (comment)
.

[kdmsit]

What are the aliases for absolute_energy,bulk_moduli and Shear Moduli?

[dwinston]

I'm not aware of any aliases for these. bulk and shear moduli are tucked under the elasticity key using short symbol names K and G for variants of bulk and shear moduli respectively, e.g.

from pymatgen import MPRester
mpr = MPRester()
mpr.query("mp-81", ["elasticity.K_VRH", "elasticity.G_VRH"])