blob: 77934dabdd4d23faa8d811cda32c5ff48f0006be (
plain) (
blame)
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
|
commit c8bfe56bd627e1945815631ce5c2ac27333fa246
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-07-15 14:45:52 +0200
Add chent$emf() function based on devEMF
commit 1cc812d69311a1b3f846d0fb160a68a26fe11d65
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-03-20 15:58:34 +0100
Use shQuote for filename creation in chent$pdf()
commit fe9c6bf06cb89ced0f61015bb24a88990a2c8fe8
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-02-21 16:00:30 +0100
Use codecov and update docs
commit bfa20a8c262580e38d30cfa95e75d1b01b568d07
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-02-19 23:19:31 +0100
Use rsvg instead of grConvert
as grConvert is not on CRAN
commit a7e2c2008699b590325ccd848562881251676faf
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-02-19 20:46:18 +0100
Fix example
commit b883e6075bd76f979fbffdb768313665681315a0
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-02-19 20:17:59 +0100
Only plot when a Picture object is there
grConvert is not needed for plotting
commit 95a067f0ed8fb580cc3652acd4c7885eb000244a
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-02-19 18:55:27 +0100
Skip plotting in examples if grConvert is missing
commit 132bd73395033a95163080517b5a7c371cf512a2
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-02-19 18:17:38 +0100
Fix check for rdkit availability
Also remove python-rdkit from the travis config as its version is too
old on travis (Ubuntu trusty)
commit aa80ce4f46f9ff1a2851ba9ba873a55a8f6ebc6d
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-02-19 17:17:48 +0100
Change package URL to github to get source code links
commit f21038189af44e9dcea8458a66ce00bbf9b6b570
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-02-19 17:03:58 +0100
Add python-rdkit to travis configuration
commit 87f9c5315c751896c2eef1fdbe8f93c5b151577e
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2019-02-19 16:02:19 +0100
Start using travis and update a test
It seems the canonical SMILES for glyphosate on PubChem has dropped the
designation of the two charges
commit b3d9bf2e5571cf506b924a6fc9cbcc366c82e340
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2018-09-27 18:57:55 +0200
Soil names for soil sorption tables
commit d665fd715ac798ac54975648543e804732df45c8
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2018-06-29 14:37:30 +0200
More details for soil degradation
commit 9cd6a79cd5c0fc69ca0b2c689d3a77f46978beba
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2018-06-21 12:29:51 +0200
Add country field to soil degradation data
commit d1786a315fe7bc68a6543de15685d59a56eaa1b1
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2018-05-20 12:25:51 +0200
Change pH_type to pH_medium
commit 7ac3347283fdcaa0a8c76af20b0a7cfa423368b9
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2018-05-18 17:32:47 +0200
Revisited soil degradation and sorption
commit 12e69e162df47660d139cb3c4a5c9bff0f6a1d85
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2018-05-16 17:13:05 +0200
Vapour pressure and water solubility, use remark
instead of comment, as comment is a special attribute in R
commit 4bd4606c76dfc152547e0f5899a98494a4290d33
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2018-03-01 09:48:02 +0100
Rebuild static documentation with current pkdown
commit 3f82707cd1e974848185b1141c69734e2573594d
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-06-13 16:05:39 +0200
Make grConvert optional as it vanished on Windows
commit f5b36dc73e7778091a08eaed51fd9d4f8677fbc1
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-03-17 21:19:14 +0100
Support a common template for depictions
commit 13c59928390dd38073c7664ea1d2961d11ba60e2
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-03-15 15:16:34 +0100
Rerun pkgdown
commit db711aaff2cbe3a620c497b1ef2cc3669d89b2b6
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-03-15 09:16:19 +0100
Some minor cosmetics and pkgdown update
commit b04bfb3648716a142167ac025c09239739c691f0
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-03-06 15:05:24 +0100
Correct link to the reference on pkgdown.jrwb.de
commit 7733340571ba735bb15ad18249cbdd5ac43e4ccd
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-03-06 15:02:08 +0100
Type on README
commit 62c0a43b968ff36786c73396e030a1de4ad4f326
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-03-06 14:58:00 +0100
Delete leftovers from staticdocs, rerun pkgdown
commit 657ca16cf5364d79e0ac2ae763b4bbfea38f78f6
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-03-06 14:55:11 +0100
Update pkgdown
commit beef9009a12623e62816f8ff322647481685b535
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-03-06 14:54:15 +0100
Some updates
commit aac6606d2aee79e547f725353a42266c00ed2299
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2017-03-06 14:52:04 +0100
Switch to pkgdown and link to pkgdown.jrwb.de
commit 6248971edad72b30f7f609a6bb2217d0b41498a0
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-12-19 22:08:48 +0100
Make the pdf structures larger, update docs
commit 762114a5ea6393cc73a09616b937397349c1a259
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-12-05 16:00:39 +0100
Use new rdkit drawing code
This is SVG only, therefore use grConvert to convert
to postscript before importing using grImport.
SVG size is currently hardcoded.
commit 363046c178398593dea33712ba281fb5556541a6
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-10-15 01:01:21 +0200
Meta infos for pdf and self$Picture, png function
commit e85f61000c139492ec6497aa3c6206a66b54d783
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-10-14 15:24:43 +0200
Better handling of ambiguous names and "source"s
commit 70e16d8ca726ed9d894bd219018838ce4b0f22a0
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-10-13 20:13:27 +0200
chents for windows!
commit 6cfe5fbd827ca37f24134e8356e8144520ee1265
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-10-13 17:28:14 +0200
Remove unmaintained usage
commit 5a9a777987fd7ac0d5724e4cfdb2178fa1567281
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-10-13 17:23:12 +0200
Commit changelog as test for mirroring on github
commit 291337e920cc95510fce3c0cdcc62b4443cd3bc4
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-10-13 14:03:19 +0200
Fix retrieving pubchem infos for ambiguous names
commit 65c481910d65f6935b7f52450ea809586e71d384
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-10-13 10:08:32 +0200
Do not fail if PythonInR is not installed
commit 7517eb0ed1a66488b937c039d4bcadefeff6b479
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-10-08 03:07:50 +0200
Add a method to write cropped pdf files
commit d22214d9f1b17bd3ab2febe810ab996bebb01410
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-28 08:56:57 +0200
Add drat target
commit cc5ba9d7cf9435bc6243222691b76d35c866aea5
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-27 19:31:04 +0200
Update .Rbuildignore
commit 7915ca3a209a052902893cb583e15cee85854821
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-27 17:48:38 +0200
Make the new README
commit 2985771a8fad29e2ebeef533adcf81d621fb5a35
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-27 17:46:59 +0200
Remove header with metadata, misrendered on github
commit e23da46d572df2636d68572710b1f2ffbf27b7bd
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-27 17:39:28 +0200
Remove mathjax from README
commit 5bec469048899cfd785dec4f91ec3840cff18adb
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-27 16:43:15 +0200
Add a bit of info to README
commit b3e6adc8da99f895fa9d289133de60ce1d5bd889
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-27 16:43:15 +0200
Add a bit of info to README
commit 1532aadbd632a3b82032de3f0b0f377660617a9f
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-27 16:14:36 +0200
Add pp to the list of classes for staticdocs
commit 40d06320e097434a924c0d57b26e5e1a7574625c
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-27 16:11:25 +0200
Add staticdocs
commit 81672751d5b23ed73c9b05bb02c52f0ee854de77
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2016-09-27 15:08:20 +0200
PythonInR optional, adapt to current webchem
commit 26748e386a386f8459edb4f061012f099d34de7d
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2015-10-16 15:35:33 +0200
Some improvements, especially in loading chyaml
commit a892d1dc3c2a3724063f4d671f7f261ff5392884
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2015-10-02 13:01:38 +0200
Some maintenance work
commit f908377f1de2e04ca3720d10084169c46a477ce2
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2015-09-28 21:34:23 +0200
Several changes heading for a release to the public
- Add tests
- Add staticdocs
- Documentation improvements
- Several small code improvements
commit 1df33dbb3d310f94ccddbf57906e12bd6fa93c3f
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2015-09-11 10:04:54 +0200
Working version with basic functionality
commit 7cc5df2ad1e2a1aa5c6d4d9f5865491c6b30ee2a
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2015-08-26 13:24:57 +0200
Initial commit
|