From 15c1a801814b6affaee98837c73ebb55e51fbd5f Mon Sep 17 00:00:00 2001 From: nh916 Date: Tue, 26 Sep 2023 16:02:36 -0700 Subject: [PATCH] formatted file section of example code simulation.md --- docs/examples/simulation.md | 31 +++++++++++++++++++++++++++---- 1 file changed, 27 insertions(+), 4 deletions(-) diff --git a/docs/examples/simulation.md b/docs/examples/simulation.md index 4ae14f246..eef127b0c 100644 --- a/docs/examples/simulation.md +++ b/docs/examples/simulation.md @@ -250,10 +250,33 @@ experiment.computation += [init, equilibration, bulk, ana] New we'd like to upload files associated with our simulation. First, we'll instantiate our File nodes under a specific project. ```python -packing_file = cript.File(name="Initial simulation box snapshot with roughly packed molecules", type="computation_snapshot", source="path/to/local/file", extension=".csv") -forcefield_file = cript.File(name="Forcefield definition file", type="data", source="path/to/local/file", extension=".pdf") -snap_file = cript.File(name="Bulk measurement initial system snap shot", type="computation_snapshot", source="path/to/local/file", extension=".png") -final_file = cript.File(name="Final snapshot of the system at the end the simulations", type="computation_snapshot", source="path/to/local/file", extension=".jpeg") +packing_file = cript.File( + name="Initial simulation box snapshot with roughly packed molecules", + type="computation_snapshot", + source="path/to/local/file", + extension=".csv", +) + +forcefield_file = cript.File( + name="Forcefield definition file", + type="data", + source="path/to/local/file", + extension=".pdf", +) + +snap_file = cript.File( + name="Bulk measurement initial system snap shot", + type="computation_snapshot", + source="path/to/local/file", + extension=".png", +) + +final_file = cript.File( + name="Final snapshot of the system at the end the simulations", + type="computation_snapshot", + source="path/to/local/file", + extension=".jpeg", +) ``` !!! note