mapidoc
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materialsproject
aliases
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
Github can track symbolic links
Dan Gunter
On Mon, Apr 13, 2015 at 9:19 PM, Donny Winston [email protected] 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
Reply to this email directly or view it on GitHub https://github.com/materialsproject/mapidoc/issues/7.
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?
Dan Gunter
On Wed, Apr 15, 2015 at 4:16 PM, Donny Winston [email protected] 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.
Reply to this email directly or view it on GitHub https://github.com/materialsproject/mapidoc/issues/7#issuecomment-93594895 .
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"])