Search.setIndex({"alltitles": {"Benefits": [[2, "benefits"]], "Chrfinder": [[2, "chrfinder"]], "Contents:": [[2, null]], "Contributing": [[2, "contributing"]], "Examples": [[0, "examples"]], "Indices and tables": [[2, "indices-and-tables"]], "Module contents": [[0, "module-chrfinder"]], "Parameters": [[0, "parameters"]], "Project overview": [[2, "project-overview"]], "Returns": [[0, "returns"]], "Run tests and coverage": [[2, "run-tests-and-coverage"]], "Submodules": [[0, "submodules"]], "chrfinder": [[1, "chrfinder"]], "chrfinder package": [[0, "chrfinder-package"]], "chrfinder.example_module module": [[0, "module-chrfinder.example_module"]], "\u2699 Installation": [[2, "installation"]], "\ud83d\ude80 Getting Started": [[2, "getting-started"]], "\ud83d\udee0\ufe0f Development installation": [[2, "development-installation"]]}, "docnames": ["api/chrfinder", "api/modules", "index"], "envversion": {"sphinx": 61, "sphinx.domains.c": 3, "sphinx.domains.changeset": 1, "sphinx.domains.citation": 1, "sphinx.domains.cpp": 9, "sphinx.domains.index": 1, "sphinx.domains.javascript": 3, "sphinx.domains.math": 2, "sphinx.domains.python": 4, "sphinx.domains.rst": 2, "sphinx.domains.std": 2, "sphinx.ext.intersphinx": 1, "sphinx.ext.viewcode": 1}, "filenames": ["api/chrfinder.rst", "api/modules.rst", "index.md"], "indexentries": {"chrfinder": [[0, "module-chrfinder", false]], "chrfinder.example_module": [[0, "module-chrfinder.example_module", false]], "hello_smiles() (in module chrfinder.example_module)": [[0, "chrfinder.example_module.hello_smiles", false]], "module": [[0, "module-chrfinder", false], [0, "module-chrfinder.example_module", false]]}, "objects": {"": [[0, 0, 0, "-", "chrfinder"]], "chrfinder": [[0, 0, 0, "-", "example_module"]], "chrfinder.example_module": [[0, 1, 1, "", "hello_smiles"]]}, "objnames": {"0": ["py", "module", "Python module"], "1": ["py", "function", "Python function"]}, "objtypes": {"0": "py:module", "1": "py:function"}, "terms": {"": 2, "10": 2, "3": 2, "A": 0, "By": 2, "If": 2, "One": 2, "The": 0, "Then": 2, "To": 2, "accuraci": 2, "activ": 2, "add": 2, "after": 2, "all": 2, "also": 2, "an": 2, "analyz": 2, "ani": [0, 2], "ar": 2, "autom": 2, "base": [0, 2], "best": 0, "branch": 2, "c": 0, "chang": 2, "chosen": 2, "chromatographi": [0, 2], "code": 2, "com": 2, "commit": 2, "compound": 2, "conda": 2, "conda_env": 2, "content": 1, "creat": 2, "data": 2, "decis": 2, "detail": 2, "determin": 2, "differ": 2, "discuss": 2, "doc": 2, "document": 2, "dsantos03": 2, "e": 2, "effici": 2, "effort": 2, "empti": 2, "ensur": 2, "entri": 0, "environ": 2, "exampl": 2, "example_modul": 1, "few": 2, "find": 0, "first": 2, "from": 2, "function": 2, "get": 0, "git": 2, "github": 2, "give": 2, "given": [0, 2], "greet": 0, "have": 2, "hello": 0, "hello_smil": [0, 1], "how": 2, "http": 2, "i": 2, "import": 2, "incorpor": 0, "index": 2, "init": 2, "initi": 2, "input": [0, 2], "issu": 2, "jupyt": 2, "jupyterlab": 2, "just": 2, "lab": 2, "leverag": 2, "li": 2, "line": [0, 2], "m": 2, "mai": 2, "main": 2, "main_func": 2, "make": 2, "manual": 2, "messag": 0, "method": 2, "might": 2, "mixtur": [0, 2], "modul": [1, 2], "molecul": 2, "molecular": 0, "most": 2, "mypackag": 2, "n": 2, "name": 2, "need": 2, "new": 2, "notat": 0, "note": 2, "o": 0, "one": 2, "onli": 2, "open": 2, "optim": 2, "organ": 2, "origin": 2, "other": 2, "output": 2, "packag": [1, 2], "page": 2, "pass": 2, "physicochem": 2, "pip": 2, "pleas": 2, "power": 2, "precis": 2, "process": 2, "properti": [0, 2], "provid": 2, "pull": 2, "push": 2, "python": 2, "quickli": 2, "rang": 2, "real": 2, "reduc": 2, "remot": 2, "renam": 2, "repositori": 2, "repres": 0, "request": 2, "result": 2, "retriev": 2, "rule": 2, "save": 2, "search": 2, "select": 2, "short": 2, "should": 2, "show": 2, "simpli": 2, "simplifi": 0, "smile": 0, "sourc": [0, 2], "start": 0, "str": 0, "string": 0, "submit": 2, "submodul": 1, "suitabl": 2, "support": 2, "sweet": 2, "system": 0, "techniqu": 2, "text": 0, "them": 2, "thi": 2, "time": 2, "tox": 2, "u": 2, "usag": 2, "usual": 2, "util": 2, "variou": 2, "versatil": 2, "web": 2, "welcom": 2, "wide": 2, "you": [0, 2], "your": 2}, "titles": ["chrfinder package", "chrfinder", "Chrfinder"], "titleterms": {"benefit": 2, "chrfinder": [0, 1, 2], "content": [0, 2], "contribut": 2, "coverag": 2, "develop": 2, "exampl": 0, "example_modul": 0, "get": 2, "indic": 2, "instal": 2, "modul": 0, "overview": 2, "packag": 0, "paramet": 0, "project": 2, "return": 0, "run": 2, "start": 2, "submodul": 0, "tabl": 2, "test": 2}})