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Present unitcells before choosing
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jadball committed Nov 5, 2024

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1 parent 20fca52 commit a617067
Showing 1 changed file with 27 additions and 7 deletions.
34 changes: 27 additions & 7 deletions ImageD11/nbGui/TDXRD/3_3DXRD_look_at_peaks.ipynb
Original file line number Diff line number Diff line change
@@ -87,6 +87,30 @@
"print(ds.shape)"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"ds.phases = ds.get_phases_from_disk()\n",
"ds.phases.unitcells"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"# now let's select a phase to index from our parameters json\n",
"phase_str = 'Fe'\n",
"\n",
"ucell = ds.phases.unitcells[phase_str]\n",
"\n",
"print(ucell.lattice_parameters, ucell.spacegroup)"
]
},
{
"cell_type": "code",
"execution_count": null,
@@ -98,9 +122,7 @@
"# load 3d columnfile from disk\n",
"\n",
"cf_3d = ds.get_cf_3d_from_disk()\n",
"\n",
"cf_3d.parameters.loadparameters(ds.parfile)\n",
"cf_3d.updateGeometry()"
"ds.update_colfile_pars(cf_3d, phase_name=phase_str) "
]
},
{
@@ -114,9 +136,7 @@
"# load 2d columnfile from disk\n",
"\n",
"cf_2d = ds.get_cf_2d_from_disk()\n",
"\n",
"cf_2d.parameters.loadparameters(ds.parfile)\n",
"cf_2d.updateGeometry()"
"ds.update_colfile_pars(cf_2d, phase_name=phase_str) "
]
},
{
@@ -129,7 +149,7 @@
"source": [
"# load grains from disk\n",
"\n",
"grains = ds.get_grains_from_disk()"
"grains = ds.get_grains_from_disk(phase_str)"
]
},
{

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