55 lines
1.4 KiB
EmacsLisp
55 lines
1.4 KiB
EmacsLisp
;;; ob-smiles.el --- Org-mode Babel support for SMILES.
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;;; -*- coding: utf-8 -*-
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;; Keywords: org babel SMILES
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;; Version: 0.0.1
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;; Package-Requires: ((smiles-mode "0.0.1") (org "8"))
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;;; Commentary:
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;;; I copy code from:
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;;; http://kitchingroup.cheme.cmu.edu/blog/2016/03/26/A-molecule-link-for-org-mode
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;; Author: John Kitchin [jkitchin@andrew.cmu.edu]
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;; Maintainer: stardiviner [numbchild@gmail.com]
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;;; Code:
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;; Org-mode Babel
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(defun org-babel-execute:smiles (body params)
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"Execute SMILES babel `BODY' with `PARAMS'."
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(shell-command-to-string
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(format "obabel -:\"%s\" -osvg 2> /dev/null" body)))
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;; Org-mode link
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(defun molecule-jump (name)
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"Jump to molecule `NAME' definition."
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(org-mark-ring-push)
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(org-open-link-from-string (format "[[%s]]" path)))
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(defun molecule-export (path desc backend)
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"Export molecule to HTML format on `PATH' with `DESC' and `BACKEND'."
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(let ((name (save-window-excursion
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(molecule-jump path)
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(org-element-property :name (org-element-context)))))
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(cond
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((eq 'html backend)
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(format "<a href=\"#%s\">%s</a>" name name)))))
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(org-add-link-type
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"molecule"
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'molecule-jump
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'molecule-export)
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;; org-mode element
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(org-element-map (org-element-parse-buffer)
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'src-block
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(lambda (src)
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(when (string= "smiles" (org-element-property :language src))
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(org-element-property :name src))))
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(provide 'ob-smiles)
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;;; ob-smiles.el ends here
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