summaryrefslogtreecommitdiff
path: root/graphics/mcf2graph/CHANGELOG
blob: 4ed3c84848cdd36d722b579e3c8728f5fe30b749 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
*******************************************************************************
 Changelog of mcf2graph software package          by Akira Yamaji 2021-09-20
*******************************************************************************
[ver. 4.72  / 2021-09-20]
  -change syntax of beginfont()
    keep file open 'f+' => 'v+'
    enable to use default input file name
  -change syntax of query()
    input file name 'i:' => 'f:'
  -fix bug in beginfont(),endfont
  -fix bug in query()
  -fix bug in expand mode
  -update mcf_data_base.mcf
  -update MCF manual,example

[ver. 4.71  / 2021-09-05]
  -add function query() for data base file
  -update mcf_data_base.mcf
  -update MCF manual,example

[ver. 4.70  / 2021-08-01]
  -change syntax of @(x,y)
    @(x,y)  : Move (x,y) from current position
    @$(x,y) : Move (x,y) from origin(@1)
  -add bond type for glycan
    arc_lb  : arc left > bottom
    arc_br  : arc bottom > right
    arc_lbr : arc left > bottom > right
    arc_ltr : arc left > top > right
  -update mcf_data_base.mcf
  -update MCF manual,example

[ver. 4.69  / 2021-07-18]
  -add bond type wf_r,wb_r,bd_r for steric ring
  -update mcf_data_base.mcf
  -update MCF manual,example

[ver. 4.68  / 2021-06-28]
  -fix bug in data base file handling
  -update mcf_data_base.mcf
  -update MCF manual,example

[ver. 4.67  / 2021-06-13]
  -fix bug in bond color
  -update mcf_data_base.mcf
  -update MCF manual,example

[ver. 4.66  / 2021-06-06]
  -add binary operator in {...}
    { a -- b , ...} : { a,a+1,...,b , ...} (a<b)
  -change option parameters
     sw_numberA=1 => sw_numbering=Atom
     sw_numberA=2 => sw_numbering=Atom+Brock
     sw_numberA=3 => sw_numbering=Atom+Inverse
     sw_numberB=1 => sw_numbering=Bond
     sw_numberB=2 => sw_numbering=Bond+Brock
     sw_numberB=3 => sw_numbering=Bond+Inverse
     sw_fframe=1 => sw_frame=Outside
     sw_fframe=2 => sw_frame=Inside
     sw_fframe=3 => sw_frame=Outside+Inside=Bothside
     sw_aframe=1 => sw_frame=sw_frame+Atom
     sw_mframe=1 => sw_frame=sw_frame+Mol
     numberA_start,numberB_start => numbering_start
     numberA_end,numberB_end => numbering_end
     Info1 => Info
     Info2 => Info+Table
     Info_t => Info+Temp
     Mcode_t => Mcode+Temp
     Report_t => Report+Temp
     None_Info_t => Font+Info+Temp
     None_Mcode_t => Font+Mcode+Temp
     None_Report_t => Font+Report+Temp
     None_Info_Mcode_t => Font+Info+Mcode+Temp
  -delete option parameters
     sw_numberA,sw_numberB,numberA_start,numberA_end,
     numberB_start,numberB_end,
     sw_fframe,sw_aframe,sw_mframe
  -update mcf_data_base.mcf
  -update MCF manual,example

[ver. 4.65  / 2021-05-23]
  -add parameter for sw_output
    None_Info_t  :  output font,'temp-info.aux'
    None_Mcode_t :  output font,'temp-mc.aux'
    None_Report_t : output font,'temp-report.aux'
    None_Info_Mcode_t :
      output font,'temp-info.aux','temp-mc.aux'
  -update mcf_data_base.mcf
  -update MCF manual,example

[ver. 4.64  / 2021-05-05]
  -add parameter for sw_output
    Mcode   : output MCF aux files
    Mcode_t : output 'temp-mc.aux'
    Info_t  : output 'temp-info.aux'
  -update MCF manual,example

[ver. 4.63  / 2021-04-18]
  -add option parameter sw_output
     sw_calc   =1 => sw_output=None
     sw_aux_out=1 => sw_output=Info1
     sw_aux_out=2 => sw_output=Info2
     sw_rep_out=1 => sw_output=Report
     sw_mol_out=1 => sw_output=MOL2k
     sw_mol_out=2 => sw_output=MOL3k
  -delete option parameters
     sw_calc,sw_aux_out,sw_rep_out,sw_mol_out,
     sw_file_open
  -change molecular data base format
     end MCF : "-" => "+"
  -update MCF manual,example

[ver. 4.62  / 2021-04-04]
  -add molecular data base file
     'mcf_data_base.mcf'
  -improve function beginfont()
     able to use molecular data base file
  -add option parameter sw_file_open
  -improve function check()
  -update MCF manual,example

[ver. 4.61  / 2021-03-21]
  -change syntax
     @.$n => @$n
     &.$n => &$n
  -change function name
     check_mc() => check()
  -improve function check()
  -update MCF manual,example

[ver. 4.60  / 2021-03-07]
  -$n (0<=n<360) can use as absolute angle
  -change option parameter name
     ratio_zebragap_bond => ratio_hashgap_bond
     offset_zebra_gap => offset_hash_gap
  -improve function check_mc()
  -update MCF manual,example
     pk font => eps(mps) file

[ver. 4.59  / 2021-02-28]
  -add command @(x,y) : move to (x,y)
  -improve function check_mc()
  -improve report output
  -delete option parameter sw_indent_off
  -update MCF manual,example

[ver. 4.58  / 2021-02-21]
  -change syntax
     "+" => p_
     "-" => n_
  -add function check_mc()
  -update MCF manual,example

[ver. 4.57  / 2021-02-11]
  -change syntax
     n:@ => @n
     n:# => &n
     &"+" => "+"
     &"-" => "-"
     |=n  => #n
     =|   => ##
  -delete command ``
  -delete command a@#b
  -delete command A[1],A[-1]
  -delete bond type d,w,z
  -fix bug in MOL file output
  -update MCF manual,example

[ver. 4.56  / 2021-01-31]
  -fix bug in molecular weight calculation
  -fix bug in report output
  -fix bug in MOL file output
  -improve parts definition
  -improve global ext() setting
  -update MCF manual,example

[ver. 4.55  / 2021-01-03]
  -fix bug in molecular weight calculation
  -fix bug in charged atom calculation
  -add commands
     ?!   : /_,!
     ??   : /_^35,/_-35
     /?!  : isopropyl
     /??! : tert-butyl
  -change syntax
     /N!_ => /N?! : dimethylamino
  -update MCF manual,example

[ver. 4.54  / 2020-12-12]
  -fix bug in report output
  -update MCF manual,example

[ver. 4.53  / 2020-11-03]
  -improve inline definition
  -update MCF manual(add index),example

[ver. 4.52  / 2020-08-30]
  -improve aux file output,input
  -update MCF manual,example

[ver. 4.51  / 2020-08-10]
  -improve aux file output,input
  -add style file mcf_setup.sty
  -update MCF manual,example

[ver. 4.50  / 2020-07-26]
  -fix bug in function add()
  -delete file mcf_man_soc-064.mps
  -update MCF manual,example

[ver. 4.49  / 2020-07-09]
  -improve command !,!n
  -delete command !0
  -improve function ext()
  -add command
     ext_clear: reset global ext()
  -fix bug in environment setting
  -update MCF manual,example

[ver. 4.48  / 2020-01-26]
  -add command  a@#b : a:@,b:#
  -update MCF manual

[ver. 4.47  / 2019-12-15]
  -fix bug in fused ring
  -change option parameter name
     sw_subst_off => sw_group_off
  -update MCF manual

[ver. 4.46  / 2019-12-08]
  -miner update mcf2graph.mf
  -update MCF manual

[ver. 4.45  / 2019-10-05]
  -improve function ext()
  -delete option parameter sw_auxfix
     sw_auxfix=1 => sw_aux_out=2
  -update MCF manual,example

[ver. 4.44  / 2019-07-07]
  -improve to ignore unknown command

[ver. 4.43  / 2019-06-23]
  -add binary operator for add()
     a << b : a rotated b
  -improve embedded font
  -update MCF manual

[ver. 4.42  / 2019-05-26]
  -add function for add()
     plus     : circled plus
     minus    : circled minus
     lonepair : lonepair
  -add binary operator for add()
     a ** b : a scaled b
     a /* b : point of b scaled a
  -add variable for add()
     A[n]up    : dir An
     A[n]left  : dir An+90
     A[n]right : dir An-90
     A[n]down  : dir An+180
     B[n]up    : dir Bn
     B[n]left  : dir Bn+90
     B[n]right : dir Bn-90
     B[n]down  : dir Bn+180
  -change variable for add()
     A[n]dir => A[n]ang
     A[n]ang : angle of An
     B[n] => Bm[n]
     B[n] : bond position => path
  -improve label emulation
  -update MCF manual

[ver. 4.41  / 2019-05-11]
  -change syntax
     |<=,=>|  =>  |=,=|
     ext() => add()
     EXT() => ext()
  -update MCF manual

[ver. 4.40  / 2019-03-21]
  -add function MC()
  -change function name MCa() => MCat()
  -delete function MCc(),MCd(),MCf()
  -add angle parameter mangle
  -add size parameter
     thickness_mframe
  -change size parameter name
     bond_len => blength
     max_bond_length => max_blength
     font_wd,font_ht => fsize(w,h)
     margin_left_right,margin_top_bottom
       => fmargin(w,h)
     thickness_font_frame => thickness_fframe
     thickness_atom_frame => thickness_aframe
  -delete ratio parameter ratio_bond_width
  -delete option parameter sw_solid
  -change option parameter name
     sw_clip        => sw_trimming
     sw_bond_single => sw_single
     sw_fomt_frame  => sw_fframe
     sw_mol_frame   => sw_mframe
     sw_atom_frame  => sw_aframe
  -update MCF manual

[ver. 4.36  / 2019-02-11]
  -fix bug in draw atom,draw bond
  -delete size parameter atomfontsize
  -update MCF manual

[ver. 4.35  / 2019-01-03]
  -fix bug in numbering bond
  -update MCF manual

[ver. 4.34  / 2018-11-11]
  -change default driver(graphicx,hyperref)
   dvipdfmx => pdftex
  -change file name
   mcf_man_soc-064.eps  => mcf_man_soc-064.mps
  -change command-line parameter settings
  -change option parameter name
     sw_report => sw_rep_out
  -update MCF manual

[ver. 4.33  / 2018-06-18]
  -change syntax n:&
     n:& => n:#
  -add command &"c"
  -update MCF manual and examples

[ver. 4.32  / 2018-06-03]
  -add commands C[],N[],O[],S[]
     X[1]  : "{X^+^}"
     X[-1] : "{X^-^}"
  -change option parameter name
     sw_MOLout => sw_mol_out
     sw_auxout => sw_aux_out
  -improve MOL file output
     sw_mol_out=0 : no MOL file
     sw_mol_out=1 : MOL file V2000
     sw_mol_out=2 : MOL file V3000
  -update MCF manual and examples

[ver. 4.31  / 2018-04-16]
  -add command */*n , n:*\* , |<=n
     */*n  : /n~wv
     n:*\* : n:\~wv
     |<=n  : |<,``n
  -update MCF manual and examples

[ver. 4.30  / 2018-01-03]
  -change syntax &n
     &n => n:&
  -improve address error detection
  -improve expand mode
  -update MCF manual and examples

[ver. 4.29  / 2017-10-29]
  -miner update mcf2graph.mf

[ver. 4.28  / 2017-09-15]
  -change syntax #n
    #n => $n
  -update MCF syntax manual

[ver. 4.27  / 2017-09-03]
  -improve function ext(),EXT()
  -update MCF syntax manual

[ver. 4.26  / 2017-08-13]
  -improve label emulation
  -update MCF syntax manual

[ver. 4.25  / 2017-07-23]
  -improve label,arrow emulation
  -change variable name
    Bs[]   => B[]s
    Be[]   => B[]e
    B[]ang => B[]dir
    A[]bra => B[]dir
  -update MCF syntax manual

[ver. 4.24  / 2017-07-17]
  -atom font can be changed
  -update MCF syntax manual

[ver. 4.23  / 2017-06-04]
  -change syntax n*,n\
     n* => n:@
     n\ => n:\
  -update MCF syntax manual

[ver. 4.22  / 2017-05-27]
  -change syntax @(),$()
     @(a,b,...)c => {a,b,...}:c
     $(a,b,...)c => {a,b,...}=c
  -improve function ext()
     add variable Bs[],Be[]
  -update MCF syntax manual

[ver. 4.21  / 2017-05-03]
  -change brock making commands
     '{','}' => '|<','>|'
  -improve report output
  -update MCF syntax manual

[ver. 4.20  / 2017-03-26]
  -change length expression
     length# => length
  -add emulation commands
     dotlabel,drawarrow,drawdblarrow
  -add function MCa(),MCc()
  -delete function draw_vector()
  -update MCF syntax manual

[ver. 4.11  / 2017-03-06]
  -improve function EXT(),ext()
  -update MCF syntax manual

[ver. 4.10  / 2017-02-13]
  -improve function EXT(),ext()
  -update MCF syntax manual

[ver. 4.09  / 2017-01-29]
  -add new function puts()
     put string in EXT(),ext()
  -add new function use_font()
     make font for puts()
  -change option parameter name
     sw_checklist => sw_report
  -update MCF syntax manual

[ver. 4.08  / 2017-01-15]
  -add monoisotopic mass calculation
  -update MCF syntax manual

[ver. 4.07  / 2017-01-09]
  -add new command '!!'  : '!~db'
  -add new command '!!!' : '!~tm'
  -add new substituent '/_' : '/Me'
  -improve molecular weight calculation
  -update MCF syntax manual

[ver. 4.06  / 2017-01-03]
  -miner update
  -corrected molecular examples
  -update MCF syntax manual

[ver. 4.05  / 2016-11-15]
  -improve molecular checklist
  -update MCF syntax manual

[ver. 4.04  / 2016-11-05]
  -improve clipping mode
  -update MCF syntax manual

[ver. 4.03  / 2016-11-03]
  -miner update
  -update MCF syntax manual

[ver. 4.02  / 2016-10-30]
  -add function EXT(),ext()
  -delete option parameter sw_start_vector
  -update MCF syntax manual

[ver. 4.01  / 2016-10-23]
  -many fixes for robustness
  -update MCF syntax manual

[ver. 4.00  / 2016-10-19]
  -change solid mode parameter
   1:solid ratio,2:solid length
  -update MCF syntax manual

[ver. 3.99  / 2016-10-14]
  -miner update
  -update MCF syntax manual
   fixed page number of contents

[ver. 3.98  / 2016-10-10]
  -add option parameter sw_clip (clipping font)
  -add max_bond_length , delete max_bond_width
  -update MCF syntax manual

[ver. 3.97  / 2016-08-21]
  -change bond type name 'ov' to 'si_'
  -add bond type 'wf_','wb_','bd_'
  -update MCF syntax manual

[ver. 3.96  / 2016-08-06]
  -large scaled rings can fuse
   5,6,7,8 membered ring scaled 11/10,12/10,13/10,14/10,15/10
  -update MCF syntax manual

[ver. 3.95  / 2016-07-10]
  -improve bond type 'ov'
  -update MCF syntax manual and example

[ver. 3.94  / 2016-06-19]
  -set maximum ratio atom size / bond length to 0.8
   for avoid error when font size is very small

[ver. 3.93  / 2016-06-11]
  -improve font frame
  -update MCF syntax manual

[ver. 3.92  / 2016-05-05]
  -miner update
  -update MCF syntax manual

[ver. 3.91  / 2016-05-01]
  -add information tag and var for fixed aux file
  -update MCF syntax manual

[ver. 3.90  / 2016-04-28]
  -add parameter 'sw_auxfix'
   fixed aux information format is added
   It is easy to use with spreadsheet software

[ver. 3.89  / 2016-04-10]
  -add new bond type bz (broad dotted)

[ver. 3.88  / 2016-04-06]
  -rename variable 'aux_separater' => 'aux_delimiter'

[ver. 3.87  / 2016-04-04]
  -change aux information delimiter(, => ;)
   a lot of molecular name include ','

[ver. 3.86  / 2016-04-02]
  -change aux output format(command => csv)
  -update MCF syntax manual

[ver. 3.85  / 2016-03-24]
  -change aux output control
  -update MCF syntax manual

[ver. 3.84  / 2016-03-19]
  -improve efficiency of command @,:
  -update MCF syntax manual

[ver. 3.83  / 2016-03-05]
  -change option parameter name
     sw_logout  => sw_auxout
     sw_MOLfile => sw_MOLout
  -update MCF syntax manual

[ver. 3.82  / 2016-02-14]
  -add new commands  ~~,^^,'`,:>
  -update MCF syntax manual

[ver. 3.81  / 2016-02-11]
  -add parameter sw_subst_off,sw_bond_single
  -delete constant _skeltonA_end
  -update MCF syntax manual

[ver. 3.80  / 2016-02-06]
  add new command || , divide CHANGELOG from README
  change e-mail address

[ver. 3.78  / 2016-01-16]
  update MCF syntax manual and MCF luamplib example

[ver. 3.76  / 2015-11-28]
  update MCF syntax manual and MCF example

[ver. 3.75  / 2015-10-17]
  fix bug in command **

[ver. 3.74  / 2015-10-03]
  improve bond infomation of checklist

[ver. 3.72  / 2015-09-22]
  change command ^^ to <  and delete ^^

[ver. 3.71  / 2015-09-18]
  delete command !!,??

[ver. 3.70  / 2015-09-16]
  add new command | ,change syntax of !,!!,?,??

[ver. 3.63  / 2015-09-14]
  add command option of numbering address,update MCF syntax manual

[ver. 3.62  / 2015-09-07]
  improve numbering bond, numbering atom, update MCF syntax manual

[ver. 3.61  / 2015-09-01]
  fix bug in local setting of font_wd# and font_ht#

[ver. 3.59  / 2015-08-23]
  update MCF syntax manual

[ver. 3.58  / 2015-08-18]
  improve calculation of molecular formula and weight

[ver. 3.57  / 2015-08-14]
  improve AUX file format

[ver. 3.55  / 2015-08-04]
  support luamplib(v2.11), renew mcf_mplib_exa.tex

[ver. 3.54  / 2015-08-03]
  maximum item number of MOLinfo can be changed

[ver. 3.53  / 2015-07-29]
  support luamplib(LuaLaTeX)

[ver. 3.52  / 2015-07-20]
  '!!4`2' can use as '{,``2,!4,}'

[ver. 3.51  / 2015-07-19]
  '?6`2' can use as '{,``2,?6,}'

[ver. 3.50  / 2015-07-11]
  first version uploaded to ctan.
******************************************************************************