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commit 6b9d255583aa798482cd02e0a27cda0c7867a39e
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-26 16:15:21 +0100
Update README after switching to reticulate
commit e7d3077065cd449b234a6b2338efd70a94f94fbd
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-19 07:38:08 +0100
Better approach to skip bcpc on travis, update docs
commit c9819ab029bb2386d25bfa9be850c9f10478188e
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-19 02:30:36 +0100
Don't run pai example on Travis...
commit ee867b11c38a6c0d97b999986f78cd014fd2bfd1
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-19 01:57:57 +0100
Skip BCPC for travis
commit ebbf0dba2aebb17d07a1974426794a183b48a27e
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-19 01:27:28 +0100
Try webchem from my drat
commit b6c6b7d3cba18c73c5a0b7ed3c51abc5e1d1f5e0
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-19 01:20:44 +0100
Cache packages on Travis
commit 2f0c97b09da92c0a353f0002938e5795c7aa3472
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-19 00:29:03 +0100
Update README after making main the default branch
commit 79123acfdd9a9b905a5b177e2b7aa0d604e52267
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-19 00:22:03 +0100
Add plot example, update static docs
commit 0056584e5168df75bca159ddf3469aa07457b77d
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-19 00:18:22 +0100
Update tests and logs
commit d032fb8ba7b0827bb896b6d9a07d6449d88cf511
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-18 23:52:32 +0100
We are on Xenial, no python3-rdkit...
commit 368edcfe670c674391d79a27a5d0490fbc1a7ef2
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-18 23:48:41 +0100
Another attempt to get python3-rdkit on Travis
commit f91a75460fbf756e27bd280b969284d043c5a451
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-18 23:22:32 +0100
Install python3-rdkit on Travis
commit ae755fbb06c3dda0740e9bb9323fbdfe3f2788a4
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2021-11-18 23:03:16 +0100
Use reticulate instead of PythonInR, alanwood has moved
Because the pesticide compendium at alanwood.net has moved to bcpc.org,
we need to depend on a development branch of webchem at the moment.
commit 898d598bcbb022ac767e0105e868798130f2c74c
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2020-10-13 15:10:03 +0200
Adapt to changes in webchem
Unfortunately, tests only pass sometimes, it seems PubChem is not always
responding
commit 6937e41d317b953d8246203814500166dbe89470
Author: Johannes Ranke <jranke@uni-bremen.de>
Date: 2020-10-13 11:26:03 +0200
Temporarily remove @example tags
Due to r-lib/roxygen2#1158
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
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