smiles-mode.el

   1 ;;; smiles-mode.el --- Major mode for SMILES.
   2 ;;; -*- coding: utf-8 -*-
   3
   4 ;; Keywords: SMILES
   5 ;; Version: 0.0.1
   6 ;; Homepage: https://repo.or.cz/smiles-mode.git
   7
   8 ;;; Commentary:
   9
  10 ;;; I copy code from:
  11 ;;; http://kitchingroup.cheme.cmu.edu/blog/2016/03/26/A-molecule-link-for-org-mode
  12
  13 ;; Author: John Kitchin [jkitchin@andrew.cmu.edu]
  14
  15 ;;; Code:
  16 \f
  17 ;; smiles major mode
  18 (require 'easymenu)
  19
  20 (defun smiles-cml ()
  21   "Convert the smiles string in the buffer to CML."
  22   (interactive)
  23   (let ((smiles (buffer-string)))
  24     (switch-to-buffer (get-buffer-create "SMILES-CML"))
  25     (erase-buffer)
  26     (insert
  27      (shell-command-to-string
  28       (format "obabel -:\"%s\" -ocml 2> /dev/null"
  29               smiles)))
  30     (goto-char (point-min))
  31     (xml-mode)))
  32
  33 (defun smiles-names ()
  34   (interactive)
  35   (browse-url
  36    (format "http://cactus.nci.nih.gov/chemical/structure/%s/names"
  37            (buffer-string))))
  38
  39 (defvar smiles-mode-map
  40   nil
  41   "Keymap for smiles-mode.")
  42
  43 ;; adapted from http://ergoemacs.org/emacs/elisp_menu_for_major_mode.html
  44 (define-derived-mode smiles-mode fundamental-mode "smiles-mode"
  45   "Major mode for SMILES code."
  46   (setq buffer-invisibility-spec '(t)
  47         mode-name " ☺")
  48
  49   (when (not smiles-mode-map)
  50     (setq smiles-mode-map (make-sparse-keymap)))
  51   (define-key smiles-mode-map (kbd "C-c C-c") 'smiles-cml)
  52   (define-key smiles-mode-map (kbd "C-c C-n") 'smiles-names)
  53
  54   (define-key smiles-mode-map [menu-bar] (make-sparse-keymap))
  55
  56   (let ((menuMap (make-sparse-keymap "SMILES")))
  57     (define-key smiles-mode-map [menu-bar smiles] (cons "SMILES" menuMap))
  58
  59     (define-key menuMap [cml]
  60       '("CML" . smiles-cml))
  61     (define-key menuMap [names]
  62       '("Names" . smiles-names))))
  63
  64 \f
  65 (provide 'smiles-mode)
  66
  67 ;;; smiles-mode.el ends here