{"id":22061767,"url":"https://github.com/lmmentel/batchcalculator","last_synced_at":"2025-05-12T22:30:12.022Z","repository":{"id":21404729,"uuid":"24722683","full_name":"lmmentel/batchcalculator","owner":"lmmentel","description":"Batch Calculator for Zeolite synthesis","archived":false,"fork":false,"pushed_at":"2024-12-14T18:59:41.000Z","size":7260,"stargazers_count":11,"open_issues_count":2,"forks_count":2,"subscribers_count":3,"default_branch":"master","last_synced_at":"2025-04-21T17:11:32.602Z","etag":null,"topics":["batch-calculation","chemistry","database","gui","python","synthesis"],"latest_commit_sha":null,"homepage":"http://lukaszmentel.com/batchcalculator/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/lmmentel.png","metadata":{"files":{"readme":"README.rst","changelog":null,"contributing":null,"funding":null,"license":"LICENSE.txt","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null}},"created_at":"2014-10-02T14:39:48.000Z","updated_at":"2024-12-14T18:59:45.000Z","dependencies_parsed_at":"2022-09-11T23:02:03.629Z","dependency_job_id":null,"html_url":"https://github.com/lmmentel/batchcalculator","commit_stats":null,"previous_names":[],"tags_count":8,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lmmentel%2Fbatchcalculator","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lmmentel%2Fbatchcalculator/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lmmentel%2Fbatchcalculator/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lmmentel%2Fbatchcalculator/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/lmmentel","download_url":"https://codeload.github.com/lmmentel/batchcalculator/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":253833022,"owners_count":21971348,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["batch-calculation","chemistry","database","gui","python","synthesis"],"created_at":"2024-11-30T18:14:49.267Z","updated_at":"2025-05-12T22:30:12.000Z","avatar_url":"https://github.com/lmmentel.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"================\nBatch Calculator\n================\n\n.. image:: https://travis-ci.org/lmmentel/batchcalculator.svg?branch=master\n   :alt: Build Status\n\n.. image:: https://readthedocs.org/projects/batchcalculator/badge/\n   :target: https://batchcalculator.readthedocs.org\n   :alt: Documentation Status\n\nA GUI script based on `wxPython \u003chttp://www.wxpython.org\u003e`_ for calculating the\ncorrect amount of reactants (batch) for a particular zeolite composition given\nby the molar ratio of its components.\n\nInstallation\n============\n\nPrerequisites\n-------------\n\n* `Python \u003chttps://www.python.org/\u003e`_ 2.7.x,\n* `wxPython \u003chttp://www.wxpython.org\u003e`_, run and tested with wx version 2.8.12.1,\n* `numpy \u003chttp://www.numpy.org/\u003e`_, tested with version 1.8.1,\n* `SQLAlchemy \u003chttp://www.sqlalchemy.org\u003e`_ 0.9.7,\n* `Jinja2 \u003chttp://jinja.pocoo.org\u003e`_, 2.7.3,\n* `reportlab \u003chttp://www.reportlab.com/\u003e`_,\n* `ObjectListView \u003chttps://bitbucket.org/wbruhin/objectlistview\u003e`_,\n\nIf you want to export your calculations to a `TeX \u003chttps://www.tug.org/\u003e`_\nreport and be able to automatically typeset the pdf you should have a TeX\ndistribution installed. If you don't know what TeX is `TUG (TeX Users Group)\n\u003chttps://www.tug.org/\u003e`_ is a good place to start.\n\n.. for wxPython 3.0.x install libgstreamer-plugins-base-0.10.dev\n\n\nInstalling from source\n----------------------\nCurrently the preferred way is to install the package from source and manually\nsetup the link and/or shortcuts if you want an launcher on you desktop.\n\nYou can either download the code from the `repository\n\u003chttps://github.com/lmmentel/batchcalculator/releases\u003e`_\nand run::\n\n    [sudo] pip install batchcalc-x.x.x.tgz\n\nor::\n\n    [sudo] easy_install batchcalc-x.x.x.tgz\n\nor clone the repository::\n\n    git clone https://github.com/lmmentel/batchcalculator.git\n\npull the latest version and update::\n\n    git pull\n\nthen `cd` to the package directory and run::\n\n    [sudo] python setup.py install\n\nIf the installation finishes without errors you should be able to start the GUI\nfrom the command line by typing::\n\n    $ zbc\n\nChangelog\n=========\n\nv0.3.0 - November 2016\n----------------------\n\nFeatures\n^^^^^^^^\n\n* New improved layout, with one output frame and buttons to control scaling\n* New option to store, extract, load and export synthesis recipes\n* First draft of the `sphinx \u003chttp://www.sphinx-doc.org\u003e`_ based documentation\n* Database with essential components and chemicals for zeolite synthesis already included\n\nFixes and improvements\n^^^^^^^^^^^^^^^^^^^^^^\n\n* A lot of internal improvements and fixes with considerable simplifications to the code base\n\n\n\nv0.1.2 - October 2014\n---------------------\n\n* Corrected a bug in the TeX report when rescaling to sample size.\n* Updated the database schema for two tables to remove incompatibilities\n  when working with sqlitebrowser.\n* Updated the chemicals table in the database to include densities, pka, smiles.\n* Added an option to change database in the window for calculating the\n  composition from masses of reactants.\n* Corrected the labels displayed in the ListCtrls.\n\nv0.1.1 - October 2014\n---------------------\n\n* Switched completely to `ObjectListView\n  \u003chttp://sourceforge.net/projects/objectlistview/files/objectlistview-python/v1.2/\u003e`_\n  for all the list-type display widgets, in the main window as well as in all\n  the relevant dialogs. As a consequence all the dependencies on ListCtrl's\n  mixins were dropped.\n* Added a function to calculate the zeolite composition (molar ratios) from the\n  masses of the reactants.\n* Reduced the number of lists displayed in the main window, now there are two\n  panels, input and output, and each has two lists.\n* Added binaries for Windows and Mac OSX for easier installation.\n* Small adjustments to the database.\n\nv0.1.0 - September 2014\n-----------------------\n\n* First stable release!\n\nDocumentation\n=============\n\nThe only piece of documentation beyond the code itself is a slide presentation\nthat can be viewed `here \u003chttps://rawgit.com/lmmentel/batchcalculator/master/doc/slides/uio.svg\u003e`_.\nThe same slides are also included in the repository files under\n`/doc/slides/uio.no`.\n\nHelp\n====\n\nIf you have some questions, remarks or requests email me at\n`\u003clmmentel-AT-gmail-DOT-com\u003e \u003cmailto:lmmentel-AT-gmail-DOT-com\u003e`_.\n\nLicense\n=======\n\nThe MIT License (MIT)\n\nCopyright (c) 2014 Lukasz Mentel\n\nPermission is hereby granted, free of charge, to any person obtaining a copy\nof this software and associated documentation files (the \"Software\"), to deal\nin the Software without restriction, including without limitation the rights\nto use, copy, modify, merge, publish, distribute, sublicense, and/or sell\ncopies of the Software, and to permit persons to whom the Software is\nfurnished to do so, subject to the following conditions:\n\nThe above copyright notice and this permission notice shall be included in all\ncopies or substantial portions of the Software.\n\nTHE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR\nIMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,\nFITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE\nAUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER\nLIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,\nOUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE\nSOFTWARE.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Flmmentel%2Fbatchcalculator","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Flmmentel%2Fbatchcalculator","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Flmmentel%2Fbatchcalculator/lists"}