{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "# Compare Atomic Files\n", "\n", "\n", "This notebook shows how to compare atomic files generated by Carsus." ] }, { "cell_type": "code", "execution_count": 20, "metadata": { "ExecuteTime": { "end_time": "2022-10-19T08:24:10.056502Z", "start_time": "2022-10-19T08:24:10.049836Z" } }, "outputs": [], "source": [ "import os\n", "import logging\n", "from carsus.io import AtomDataCompare" ] }, { "cell_type": "code", "execution_count": 21, "metadata": { "ExecuteTime": { "end_time": "2022-10-19T08:24:10.203221Z", "start_time": "2022-10-19T08:24:10.198932Z" } }, "outputs": [], "source": [ "ATOM1_PATH = os.environ.get(\"ATOM1_PATH\", None)\n", "ATOM2_PATH = os.environ.get(\"ATOM2_PATH\", None)" ] }, { "cell_type": "code", "execution_count": 23, "metadata": { "ExecuteTime": { "end_time": "2022-10-19T08:24:19.499649Z", "start_time": "2022-10-19T08:24:19.411768Z" }, "scrolled": true }, "outputs": [], "source": [ "atc = AtomDataCompare(ATOM1_PATH, ATOM2_PATH)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "A brief overview of what keys match can be seen using the comparison table." ] }, { "cell_type": "code", "execution_count": 24, "metadata": { "ExecuteTime": { "end_time": "2022-10-19T08:29:05.309556Z", "start_time": "2022-10-19T08:29:04.029450Z" } }, "outputs": [ { "data": { "text/html": [ "\n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", "
exists_1 exists_2 match
atom_dataTrueTrueFalse
collision_data_temperaturesFalseTrueFalse
collisionsFalseTrueFalse
ionization_dataTrueTrueFalse
levelsTrueTrueFalse
linesTrueTrueFalse
macro_atom_dataTrueTrueFalse
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metadataTrueFalseFalse
zeta_dataTrueTrueTrue
" ], "text/plain": [ "" ] }, "execution_count": 24, "metadata": {}, "output_type": "execute_result" } ], "source": [ "atc.compare()" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "One can investigate further into the difference between the dataframes using the `key_diff` method. The `key_diff` method currently supports differentiating `levels`, `lines` and the `collisions` dataframes." ] }, { "cell_type": "code", "execution_count": 6, "metadata": { "ExecuteTime": { "end_time": "2022-10-19T08:22:28.873130Z", "start_time": "2022-10-19T08:22:22.458457Z" }, "scrolled": true }, "outputs": [ { "data": { "text/html": [ "\n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", "
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" ], "text/plain": [ "" ] }, "execution_count": 7, "metadata": {}, "output_type": "execute_result" } ], "source": [ "atc.key_diff(\"lines\")" ] }, { "cell_type": "markdown", "metadata": { "ExecuteTime": { "end_time": "2022-09-30T14:56:28.398117Z", "start_time": "2022-09-30T14:56:28.339229Z" } }, "source": [ "One can also investigate specific ions:" ] }, { "cell_type": "code", "execution_count": 8, "metadata": { "ExecuteTime": { "end_time": "2022-10-19T08:23:03.924742Z", "start_time": "2022-10-19T08:23:03.262672Z" } }, "outputs": [ { "data": { "text/html": [ "\n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " 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pct_change_wavelength pct_change_f_ul pct_change_f_lu pct_change_nu pct_change_B_lu pct_change_B_ul pct_change_A_ul
level_number_lower level_number_upper
010.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
30.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
40.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
60.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
90.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
110.0000010.0000000.000000-0.0000010.0000010.000001-0.000002
160.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
180.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
150.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
70.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
100.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
120.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
170.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
190.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
240.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
60.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
90.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
110.0000010.0000000.000000-0.0000010.0000020.000002-0.000003
160.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
180.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
350.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
70.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
80.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
100.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
120.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
130.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
170.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
190.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
200.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
4100.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
120.0000010.0000000.000000-0.0000010.0000010.000001-0.000002
170.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
190.0000010.0000000.000000-0.0000010.0000010.000001-0.000002
590.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
110.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
160.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
180.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
6100.0000020.0000000.000000-0.0000020.0000020.000002-0.000005
120.0000010.0000000.000000-0.0000010.0000010.000001-0.000002
130.0000010.0000000.000000-0.0000010.0000010.000001-0.000002
170.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
190.0000010.0000000.000000-0.0000010.0000020.000002-0.000003
200.0000010.0000000.000000-0.0000010.0000020.000002-0.000003
790.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
110.0000010.0000000.000000-0.0000010.0000010.000001-0.000002
140.0000010.0000000.000000-0.0000010.0000010.000001-0.000002
160.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
180.0000010.0000000.000000-0.0000010.0000020.000002-0.000003
210.0000010.0000000.000000-0.0000010.0000020.000002-0.000003
8110.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
140.0000020.0000000.000000-0.0000020.0000020.000002-0.000003
150.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
180.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
210.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
220.0000020.0000000.000000-0.0000020.0000020.000002-0.000005
9170.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
190.0000010.0000000.000000-0.0000010.0000010.000001-0.000002
1016-0.0000000.0000000.0000000.000000-0.000000-0.0000000.000001
18-0.0000000.0000000.0000000.000000-0.000000-0.0000000.000001
11170.0000030.0000000.000000-0.0000030.0000030.000003-0.000006
190.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
200.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
12160.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
180.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
210.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
13180.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
210.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
220.0000040.0000000.000000-0.0000040.0000040.000004-0.000008
14190.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
200.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
230.0000040.0000000.000000-0.0000040.0000040.000004-0.000008
15200.0000020.0000000.000000-0.0000020.0000020.000002-0.000004
230.0000040.0000000.000000-0.0000040.0000040.000004-0.000008
240.0000010.0000000.000000-0.0000010.0000010.000001-0.000003
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pct_change_energy pct_change_g
level_number
57-0.0000000.000000
58-0.000000-0.333333
59-0.0000130.000000
60-0.000013-0.250000
61-0.0058222.000000
62-0.0058221.000000
63-0.0044620.000000
64-0.0044620.000000
65-0.0035120.000000
66-0.0035120.000000
" ], "text/plain": [ "" ] }, "execution_count": 10, "metadata": {}, "output_type": "execute_result" } ], "source": [ "atc.ion_diff(\"levels\",(3,0))" ] }, { "cell_type": "code", "execution_count": 11, "metadata": { "ExecuteTime": { "end_time": "2022-10-19T08:23:19.442031Z", "start_time": "2022-10-19T08:23:19.425469Z" } }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "All the values in both the dataframes match.\n" ] } ], "source": [ "atc.ion_diff(\"levels\",(1,0))" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "Both the `ion_diff` and `key_diff` methods allow displaying detailed information:" ] }, { "cell_type": "code", "execution_count": 12, "metadata": { "ExecuteTime": { "end_time": "2022-10-19T08:23:25.414894Z", "start_time": "2022-10-19T08:23:24.662887Z" } }, "outputs": [ { "data": { "text/html": [ "\n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " \n", " 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" ], "text/plain": [ " total_rows matches_line_id matches_wavelength matches_f_ul \\\n", "values 174 0 3 174 \n", "\n", " matches_f_lu matches_nu matches_B_lu matches_B_ul matches_A_ul \n", "values 174 3 3 3 3 " ] }, "execution_count": 13, "metadata": {}, "output_type": "execute_result" } ], "source": [ "atc.ion_diff(\"lines\",\"He\",return_summary=True)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "Specific columns can be plotted:" ] }, { "cell_type": "code", "execution_count": 14, "metadata": { "ExecuteTime": { "end_time": "2022-10-19T08:23:28.965585Z", "start_time": "2022-10-19T08:23:28.526202Z" }, "scrolled": true }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "[\u001b[1m py.warnings\u001b[0m][\u001b[1;33mWARNING\u001b[0m] - /home/atharva/workspace/code/tardis-main/carsus/carsus/io/atom_data_compare.py:189: PerformanceWarning: indexing past lexsort depth may impact performance.\n", " df1 = df1.loc[parsed_ion]\n", " (\u001b[1mwarnings.py\u001b[0m:110)\n", "[\u001b[1m py.warnings\u001b[0m][\u001b[1;33mWARNING\u001b[0m] - /home/atharva/workspace/code/tardis-main/carsus/carsus/io/atom_data_compare.py:190: PerformanceWarning: indexing past lexsort depth may impact performance.\n", " df2 = df2.loc[parsed_ion]\n", " (\u001b[1mwarnings.py\u001b[0m:110)\n" ] }, { "data": { "image/png": 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\n", 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line_idwavelengthf_ulf_lunuB_luB_ulA_ul
atomic_numberion_numberlevel_number_lowerlevel_number_upper
302167182316404.7754250.0005030.0002521.827471e+146.933393e+071.386679e+081.247877e+04
2867192327591.9686350.0013490.0006741.086521e+143.124340e+086.248679e+081.181808e+04
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51672107105557.6007280.0117210.0058612.840084e+131.038640e+102.077280e+107.016705e+03
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