docs/diagrams/img/BackendComponents.svg

<?xml version="1.0" encoding="UTF-8" standalone="no"?><svg xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" contentStyleType="text/css" height="1148px" preserveAspectRatio="none" style="width:968px;height:1148px;background:#FFFFFF;" version="1.1" viewBox="0 0 968 1148" width="968px" zoomAndPan="magnify"><defs/><g><!--MD5=[47c14c564e796a575e671c2b0469a7bb]
cluster backend--><g id="cluster_backend"><rect fill="none" height="618" rx="2.5" ry="2.5" style="stroke:#444444;stroke-width:1.0;stroke-dasharray:7.0,7.0;" width="304" x="101" y="343"/><text fill="#444444" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="200" x="153" y="379.8516">Chemspectra Backend</text><text fill="#444444" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="62" x="222" y="394.7637">[System]</text></g><!--MD5=[f4dc0edea5e77aea42d43a433b659d6c]
entity comController--><g id="elem_comController"><rect fill="#85BBF0" height="131.75" rx="2.5" ry="2.5" style="stroke:#78A8D8;stroke-width:0.5;" width="201" x="152.5" y="414"/><text fill="#000000" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="85" x="210.5" y="435.1387">«component»</text><text fill="#000000" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="98" x="204" y="452.8203">Controllers</text><text fill="#000000" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="53" x="226.5" y="467.7324">[Python]</text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="4" x="251" y="483.5576"> </text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="120" x="191" y="499.8545">API controllers for</text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="177" x="162.5" y="516.1514">processing file, inference,</text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="121" x="192.5" y="532.4482">transforming data</text></g><!--MD5=[6d9038abfe809ca419009256a6e28ec3]
entity comModel--><g id="elem_comModel"><rect fill="#85BBF0" height="115.4531" rx="2.5" ry="2.5" style="stroke:#78A8D8;stroke-width:0.5;" width="165" x="223.5" y="621"/><text fill="#000000" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="85" x="263.5" y="642.1387">«component»</text><text fill="#000000" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="63" x="274.5" y="659.8203">Models</text><text fill="#000000" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="53" x="279.5" y="674.7324">[Python]</text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="4" x="304" y="690.5576"> </text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="141" x="233.5" y="706.8545">Model to handle and</text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="143" x="234.5" y="723.1514">process analyse files</text></g><!--MD5=[c79dfe364051817ec18851c548166056]
entity comLib--><g id="elem_comLib"><rect fill="#85BBF0" height="134.0781" rx="2.5" ry="2.5" style="stroke:#78A8D8;stroke-width:0.5;" width="220" x="141" y="811"/><text fill="#000000" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="85" x="208.5" y="832.1387">«component»</text><text fill="#000000" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="194" x="151" y="849.8203">Libraries, Converters,</text><text fill="#000000" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="100" x="201" y="868.4453">Composers</text><text fill="#000000" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="53" x="224.5" y="883.3574">[Python]</text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="4" x="249" y="899.1826"> </text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="170" x="164" y="915.4795">Libraries to process files,</text><text fill="#000000" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="148" x="177" y="931.7764">convert, prepare data</text></g><!--MD5=[8fc3522a43f8c7199df5e09e5bb0188e]
entity user--><g id="elem_user"><rect fill="#08427B" height="133.1875" rx="2.5" ry="2.5" style="stroke:#073B6F;stroke-width:0.5;" width="212" x="7" y="7"/><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="57" x="84.5" y="28.1387">«person»</text><image height="48" width="48" x="89" xlink:href="data:image/png;base64,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" y="30.9688"/><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="41" x="92.5" y="93.8203">User</text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="4" x="111" y="110.5889"> </text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="188" x="21" y="126.8857">An user uses Chemspectra</text></g><!--MD5=[c4395a97f5713c208b4bb42a68bd06de]
entity standaloneClient--><g id="elem_standaloneClient"><rect fill="#438DD5" height="66.5625" rx="2.5" ry="2.5" style="stroke:#3C7FC0;stroke-width:0.5;" width="194" x="18" y="215"/><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="74" x="78" y="236.1387">«container»</text><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="174" x="28" y="253.8203">Chemspectra Client</text><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="134" x="48" y="268.7324">[Stand alone version]</text></g><!--MD5=[f878edc7452f82763790f058fc570fc5]
entity chemotionELN--><g id="elem_chemotionELN"><rect fill="#438DD5" height="66.5625" rx="2.5" ry="2.5" style="stroke:#3C7FC0;stroke-width:0.5;" width="207" x="247.5" y="215"/><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="74" x="314" y="236.1387">«container»</text><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="128" x="287" y="253.8203">ChemotionELN</text><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="187" x="257.5" y="268.7324">[Embedded in ChemotionELN]</text></g><!--MD5=[a4056073ffe8a38912e8fdd48fc8572e]
entity spectraEditor--><g id="elem_spectraEditor"><rect fill="#438DD5" height="115.4531" rx="2.5" ry="2.5" style="stroke:#3C7FC0;stroke-width:0.5;" width="200" x="261" y="16"/><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="74" x="324" y="37.1387">«container»</text><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="81" x="320.5" y="54.8203">Frontend</text><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="58" x="332" y="69.7324">[ReactJS]</text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="4" x="359" y="85.5576"> </text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="176" x="271" y="101.8545">Web package to view and</text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="86" x="318" y="118.1514">analyse data</text></g><!--MD5=[55eee879a8f3b3ffe765c4ba16ba55ba]
entity nmrshift--><g id="elem_nmrshift"><rect fill="#999999" height="52.5938" rx="2.5" ry="2.5" style="stroke:#8A8A8A;stroke-width:0.5;" width="135" x="827.5" y="851.5"/><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="115" x="837.5" y="872.6387">«external_system»</text><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="107" x="841.5" y="890.3203">NMRShiftDB</text></g><!--MD5=[887e240b61ff64cdeb71ced7dd48f10f]
entity irprediction--><g id="elem_irprediction"><rect fill="#999999" height="52.5938" rx="2.5" ry="2.5" style="stroke:#8A8A8A;stroke-width:0.5;" width="135" x="421.5" y="851.5"/><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="115" x="431.5" y="872.6387">«external_system»</text><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="113" x="432.5" y="890.3203">IR prediction</text></g><!--MD5=[338f704f2b62aaf480e4dd624e197690]
entity msconver--><g id="elem_msconver"><rect fill="#999999" height="120.1094" rx="2.5" ry="2.5" style="stroke:#8A8A8A;stroke-width:0.5;" width="190" x="44" y="1022"/><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="115" x="81.5" y="1043.1387">«external_system»</text><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="120" x="76" y="1060.8203">Mass spectra</text><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="88" x="95" y="1079.4453">converter</text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="4" x="137" y="1096.2139"> </text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="141" x="68.5" y="1112.5107">Docker container for</text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="170" x="54" y="1128.8076">converting mass spectra</text></g><!--MD5=[46201015deb608aba2c44a5b1c873c39]
entity rdkit--><g id="elem_rdkit"><rect fill="#999999" height="101.4844" rx="2.5" ry="2.5" style="stroke:#8A8A8A;stroke-width:0.5;" width="200" x="592" y="827.5"/><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="115" x="634.5" y="848.6387">«external_system»</text><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="48" x="668" y="866.3203">RDKit</text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="4" x="690" y="883.0889"> </text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="92" x="646" y="899.3857">Open-Source</text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="180" x="602" y="915.6826">Cheminformatics Software</text></g><!--MD5=[990ac111e3bf2cb6a3d6f938f68bffe1]
entity nmrglue--><g id="elem_nmrglue"><rect fill="#999999" height="85.1875" rx="2.5" ry="2.5" style="stroke:#8A8A8A;stroke-width:0.5;" width="187" x="269.5" y="1039.5"/><text fill="#FFFFFF" font-family="sans-serif" font-size="12" font-style="italic" lengthAdjust="spacing" textLength="115" x="305.5" y="1060.6387">«external_system»</text><text fill="#FFFFFF" font-family="sans-serif" font-size="16" font-weight="bold" lengthAdjust="spacing" textLength="80" x="323" y="1078.3203">NMRGlue</text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="4" x="361" y="1095.0889"> </text><text fill="#FFFFFF" font-family="sans-serif" font-size="14" lengthAdjust="spacing" textLength="163" x="283.5" y="1111.3857">Library for read nmr files</text></g><!--MD5=[73fca4379511e77f14efdcf0fafcafc5]
link user to chemotionELN--><g id="link_user_chemotionELN"><path d="M137.86,140.16 C146.61,156.56 157.88,172.91 172,185 C183.59,194.92 210.26,205.86 239.58,215.77 " fill="none" id="user-to-chemotionELN" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="247.49,218.4,240.8492,213.0241,238.9519,218.7162,247.49,218.4" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="173" y="182.1387">uses</text></g><!--MD5=[025db4dd506861adeee27468e98cf647]
link user to standaloneClient--><g id="link_user_standaloneClient"><path d="M96.35,140.22 C94.44,154.95 93.85,170.5 96,185 C97.08,192.25 98.82,199.82 100.83,207.09 " fill="none" id="user-to-standaloneClient" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="103.09,214.83,103.7245,206.3096,97.9656,207.9933,103.09,214.83" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="97" y="182.1387">uses</text></g><!--MD5=[5a5837769dd30f8d9b61326fd70a9db9]
link comController to comLib--><g id="link_comController_comLib"><path d="M204.67,546.05 C190.64,568.61 177.17,594.84 170,621 C156.49,670.29 156.82,686.62 170,736 C176.24,759.4 187.4,782.96 199.48,803.93 " fill="none" id="comController-to-comLib" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="203.6,810.94,202.1312,802.5232,196.959,805.5644,203.6,810.94" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="171" y="683.1387">uses</text></g><!--MD5=[cd3c62781c4028871dd5142207bb1cc8]
link comController to comModel--><g id="link_comController_comModel"><path d="M270.57,546.16 C276.37,567.65 282.81,591.53 288.6,612.98 " fill="none" id="comController-to-comModel" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="290.7,620.76,291.5266,612.2561,285.7312,613.8094,290.7,620.76" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="282" y="588.1387">uses</text></g><!--MD5=[57d2638aa06955fedbff4b75638ded71]
link comModel to comLib--><g id="link_comModel_comLib"><path d="M290.24,736.1 C284.42,757 277.73,781 271.55,803.21 " fill="none" id="comModel-to-comLib" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="269.39,810.98,274.425,804.0772,268.6447,802.4686,269.39,810.98" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="282" y="778.1387">uses</text></g><!--MD5=[6f89a9402dae50e37dd5be17685feae3]
link spectraEditor to chemotionELN--><g id="link_spectraEditor_chemotionELN"><path d="M357.73,131.15 C356.3,155.9 354.65,184.36 353.34,206.94 " fill="none" id="spectraEditor-to-chemotionELN" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="352.88,214.98,356.3323,207.1645,350.3421,206.8216,352.88,214.98" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="75" x="356" y="182.1387">embedded</text></g><!--MD5=[7ce3e449a0b8dc271421376454d596bb]
link spectraEditor to standaloneClient--><g id="link_spectraEditor_standaloneClient"><path d="M286.66,131.12 C263.03,148.72 236.63,167.96 212,185 C199.84,193.42 186.62,202.17 173.97,210.38 " fill="none" id="spectraEditor-to-standaloneClient" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="167.01,214.88,175.3584,213.0623,172.1047,208.0211,167.01,214.88" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="75" x="233" y="182.1387">embedded</text></g><!--MD5=[b603a3801d45d09fa0f371f3847e0df8]
link standaloneClient to comController--><g id="link_standaloneClient_comController"><path d="M134.77,282.38 C154.26,314.79 184.67,365.36 209.77,407.11 " fill="none" id="standaloneClient-to-comController" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="213.91,413.99,212.3537,405.5889,207.2134,408.6838,213.91,413.99" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="160" y="324.1387">uses</text></g><!--MD5=[ae394ef9b477d8eeaec857219930bb47]
link chemotionELN to comController--><g id="link_chemotionELN_comController"><path d="M336.96,282.38 C323.18,314.65 301.7,364.95 283.92,406.59 " fill="none" id="chemotionELN-to-comController" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="280.76,413.99,286.6514,407.802,281.1299,405.454,280.76,413.99" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="323" y="324.1387">uses</text></g><!--MD5=[96a93f44440d56100e8cf8b95fccbcf2]
link comModel to nmrshift--><g id="link_comModel_nmrshift"><path d="M388.56,690.55 C491.44,706.64 670.68,742.37 810,811 C828.48,820.1 846.81,833.61 861.68,846.03 " fill="none" id="comModel-to-nmrshift" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="867.84,851.27,863.7067,843.7923,859.809,848.3539,867.84,851.27" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="733" y="778.1387">uses</text></g><!--MD5=[f0e9edb4a0c6042cc0ff5ced88ae8f6a]
link comModel to irprediction--><g id="link_comModel_irprediction"><path d="M358.44,736.1 C391.28,771.53 432.37,815.89 459.59,845.26 " fill="none" id="comModel-to-irprediction" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="465.18,851.29,461.9414,843.3836,457.5412,847.4626,465.18,851.29" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="398" y="778.1387">uses</text></g><!--MD5=[54fab4dc8d0dc75c2f96bf15dc215a60]
link comModel to rdkit--><g id="link_comModel_rdkit"><path d="M388.68,718.65 C441.95,744.22 512.5,778.74 574,811 C581.64,815.01 589.52,819.22 597.41,823.51 " fill="none" id="comModel-to-rdkit" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="604.65,827.46,599.0652,820.9939,596.1906,826.2605,604.65,827.46" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="509" y="778.1387">uses</text></g><!--MD5=[bed5f6632a5cc3213e022ff826ddf3dd]
link comLib to nmrglue--><g id="link_comLib_nmrglue"><path d="M287.67,945.14 C303.42,973.54 321.49,1006.13 335.98,1032.27 " fill="none" id="comLib-to-nmrglue" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="339.97,1039.46,338.7103,1031.0094,333.4643,1033.9214,339.97,1039.46" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="311" y="989.1387">uses</text></g><!--MD5=[35098e5f59c9b51b2e5cfc46df8b8637]
link comLib to msconver--><g id="link_comLib_msconver"><path d="M214.33,945.14 C201.95,967.46 188.14,992.38 175.75,1014.71 " fill="none" id="comLib-to-msconver" style="stroke:#666666;stroke-width:1.0;"/><polygon fill="#666666" points="171.79,1021.86,178.2957,1016.3214,173.0497,1013.4094,171.79,1021.86" style="stroke:#666666;stroke-width:1.0;"/><text fill="#666666" font-family="sans-serif" font-size="12" font-weight="bold" lengthAdjust="spacing" textLength="34" x="196" y="989.1387">uses</text></g><!--MD5=[b278004944830358f83e0ddd1ed80e1e]
@startuml BackendComponents
!include https://raw.githubusercontent.com/plantuml-stdlib/C4-PlantUML/master/C4_Component.puml

Person(user, "User", "An user uses Chemspectra")
Container(standaloneClient, "Chemspectra Client", "Stand alone version")
Container(chemotionELN, "ChemotionELN", "Embedded in ChemotionELN")

Rel(user, chemotionELN, "uses")
Rel(user, standaloneClient, "uses")
Container(spectraEditor, "Frontend", "ReactJS", "Web package to view and analyse data")

System_Boundary(backend, "Chemspectra Backend") {
    Component(comController, "Controllers", "Python", "API controllers for processing file, inference, transforming data")
    Component(comModel, "Models", "Python", "Model to handle and process analyse files")
    Component(comLib, "Libraries, Converters, Composers", "Python", "Libraries to process files, convert, prepare data")
}

Rel(comController, comLib, "uses")
Rel(comController, comModel, "uses")
Rel(comModel, comLib, "uses")

Rel(spectraEditor, chemotionELN, "embedded")
Rel(spectraEditor, standaloneClient, "embedded")
Rel(standaloneClient, comController, "uses")
Rel(chemotionELN, comController, "uses")

System_Ext(nmrshift, "NMRShiftDB")
System_Ext(irprediction, "IR prediction")
System_Ext(msconver, "Mass spectra converter", "Docker container for converting mass spectra")
System_Ext(rdkit, "RDKit", "Open-Source Cheminformatics Software")
System_Ext(nmrglue, "NMRGlue", "Library for read nmr files")

Rel(comModel, nmrshift, "uses")
Rel(comModel, irprediction, "uses")
Rel(comModel, rdkit, "uses")
Rel(comLib, nmrglue, "uses")
Rel(comLib, msconver, "uses")

@enduml

@startuml BackendComponents
















skinparam defaultTextAlignment center

skinparam wrapWidth 200
skinparam maxMessageSize 150

skinparam LegendBorderColor transparent
skinparam LegendBackgroundColor transparent
skinparam LegendFontColor #FFFFFF

skinparam shadowing<<legendArea>> false
skinparam rectangle<<legendArea>> {
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skinparam rectangle {
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skinparam database {
    StereotypeFontSize 12
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skinparam queue {
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}

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    style awesome
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skinparam person {
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rectangle "<$person>\n==User\n\n An user uses Chemspectra" <<person>> as user 
rectangle "==Chemspectra Client\n//<size:12>[Stand alone version]</size>//" <<container>> as standaloneClient 
rectangle "==ChemotionELN\n//<size:12>[Embedded in ChemotionELN]</size>//" <<container>> as chemotionELN 

user - ->> chemotionELN : **uses**
user - ->> standaloneClient : **uses**
rectangle "==Frontend\n//<size:12>[ReactJS]</size>//\n\nWeb package to view and analyse data" <<container>> as spectraEditor 

  rectangle "==Chemspectra Backend\n<size:12>[System]</size>" <<system_boundary>><<boundary>> as backend  {
    rectangle "==Controllers\n//<size:12>[Python]</size>//\n\nAPI controllers for processing file, inference, transforming data" <<component>> as comController 
    rectangle "==Models\n//<size:12>[Python]</size>//\n\nModel to handle and process analyse files" <<component>> as comModel 
    rectangle "==Libraries, Converters, Composers\n//<size:12>[Python]</size>//\n\nLibraries to process files, convert, prepare data" <<component>> as comLib 
}

comController - ->> comLib : **uses**
comController - ->> comModel : **uses**
comModel - ->> comLib : **uses**

spectraEditor - ->> chemotionELN : **embedded**
spectraEditor - ->> standaloneClient : **embedded**
standaloneClient - ->> comController : **uses**
chemotionELN - ->> comController : **uses**

rectangle "==NMRShiftDB" <<external_system>> as nmrshift 
rectangle "==IR prediction" <<external_system>> as irprediction 
rectangle "==Mass spectra converter\n\n Docker container for converting mass spectra" <<external_system>> as msconver 
rectangle "==RDKit\n\n Open-Source Cheminformatics Software" <<external_system>> as rdkit 
rectangle "==NMRGlue\n\n Library for read nmr files" <<external_system>> as nmrglue 

comModel - ->> nmrshift : **uses**
comModel - ->> irprediction : **uses**
comModel - ->> rdkit : **uses**
comLib - ->> nmrglue : **uses**
comLib - ->> msconver : **uses**

@enduml

PlantUML version 1.2022.7(Mon Aug 22 19:01:30 CEST 2022)
(GPL source distribution)
Java Runtime: OpenJDK Runtime Environment
JVM: OpenJDK 64-Bit Server VM
Default Encoding: UTF-8
Language: en
Country: US
--></g></svg>