From 8f20085b0c642c46af6223acf7468b607652af99 Mon Sep 17 00:00:00 2001 From: Paul Sharp <44529197+DrPaulSharp@users.noreply.github.com> Date: Thu, 17 Apr 2025 16:20:29 +0100 Subject: [PATCH] Updates jupyter notebook --- .../convert_rascal_project/convert_rascal.ipynb | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/RATapi/examples/convert_rascal_project/convert_rascal.ipynb b/RATapi/examples/convert_rascal_project/convert_rascal.ipynb index c62be937..fbae2d5b 100644 --- a/RATapi/examples/convert_rascal_project/convert_rascal.ipynb +++ b/RATapi/examples/convert_rascal_project/convert_rascal.ipynb @@ -6,7 +6,7 @@ "source": [ "### RasCAL-1 to RAT\n", "\n", - "RasCAL-1 (R1) project structs can be converted to RAT Project classes, and vice versa. This is done via the functions `r1_to_project_class` and `project_class_to_r1`.\n", + "RasCAL-1 (R1) project structs can be converted to RAT Projects, and vice versa. This is done via the functions `r1_to_project` and `project_to_r1`.\n", "\n", "Converting from R1 to a `Project` is very simple. We use the example R1 project in the file `R1monolayerVolumeModel.mat`, which is a project for analysing a monolayer of DSPC with various deuterations (tail-deuterated, head-deuterated, fully deuterated, hydrogenated)" ] @@ -15,7 +15,7 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "Simply give the file path to the function `r1_to_project_class`, and it returns a RAT `Project` that you can use exactly like any other." + "Simply give the file path to the function `r1_to_project`, and it returns a RAT `Project` that you can use exactly like any other." ] }, { @@ -24,9 +24,9 @@ "metadata": {}, "outputs": [], "source": [ - "from RATapi.utils.convert import r1_to_project_class\n", + "from RATapi.utils.convert import r1_to_project\n", "\n", - "project = r1_to_project_class(\"R1monolayerVolumeModel.mat\")\n", + "project = r1_to_project(\"R1monolayerVolumeModel.mat\")\n", "print(project)" ] }, @@ -108,7 +108,7 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "`project_class_to_r1` takes parameters `project` and `filename`, which are the `Project` object and filename for the produced .mat file respectively. This .mat file can then be loaded into RasCAL-1.\n", + "`project_to_r1` takes parameters `project` and `filename`, which are the `Project` object and filename for the produced .mat file respectively. This .mat file can then be loaded into RasCAL-1.\n", "\n", "Alternatively, if one sets `return_struct=True`, the struct is returned as a Python dictionary instead of being saved.\n", "\n", @@ -121,14 +121,14 @@ "metadata": {}, "outputs": [], "source": [ - "from RATapi.utils.convert import project_class_to_r1\n", + "from RATapi.utils.convert import project_to_r1\n", "from pprint import pp # for printing the struct\n", "\n", "# save to a file called lipid_bilayer.mat\n", - "project_class_to_r1(lipid_bilayer_project, filename=\"lipid_bilayer.mat\")\n", + "project_to_r1(lipid_bilayer_project, filename=\"lipid_bilayer.mat\")\n", "\n", "# return as a Python dictionary\n", - "struct = project_class_to_r1(lipid_bilayer_project, return_struct=True)\n", + "struct = project_to_r1(lipid_bilayer_project, return_struct=True)\n", "pp(struct)" ] }