commit d032fb8ba7b0827bb896b6d9a07d6449d88cf511 Author: Johannes Ranke Date: 2021-11-18 23:52:32 +0100 We are on Xenial, no python3-rdkit... commit 368edcfe670c674391d79a27a5d0490fbc1a7ef2 Author: Johannes Ranke Date: 2021-11-18 23:48:41 +0100 Another attempt to get python3-rdkit on Travis commit f91a75460fbf756e27bd280b969284d043c5a451 Author: Johannes Ranke Date: 2021-11-18 23:22:32 +0100 Install python3-rdkit on Travis commit ae755fbb06c3dda0740e9bb9323fbdfe3f2788a4 Author: Johannes Ranke 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 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 Date: 2020-10-13 11:26:03 +0200 Temporarily remove @example tags Due to r-lib/roxygen2#1158 commit c8bfe56bd627e1945815631ce5c2ac27333fa246 Author: Johannes Ranke Date: 2019-07-15 14:45:52 +0200 Add chent$emf() function based on devEMF commit 1cc812d69311a1b3f846d0fb160a68a26fe11d65 Author: Johannes Ranke Date: 2019-03-20 15:58:34 +0100 Use shQuote for filename creation in chent$pdf() commit fe9c6bf06cb89ced0f61015bb24a88990a2c8fe8 Author: Johannes Ranke Date: 2019-02-21 16:00:30 +0100 Use codecov and update docs commit bfa20a8c262580e38d30cfa95e75d1b01b568d07 Author: Johannes Ranke Date: 2019-02-19 23:19:31 +0100 Use rsvg instead of grConvert as grConvert is not on CRAN commit a7e2c2008699b590325ccd848562881251676faf Author: Johannes Ranke Date: 2019-02-19 20:46:18 +0100 Fix example commit b883e6075bd76f979fbffdb768313665681315a0 Author: Johannes Ranke 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 Date: 2019-02-19 18:55:27 +0100 Skip plotting in examples if grConvert is missing commit 132bd73395033a95163080517b5a7c371cf512a2 Author: Johannes Ranke 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 Date: 2019-02-19 17:17:48 +0100 Change package URL to github to get source code links commit f21038189af44e9dcea8458a66ce00bbf9b6b570 Author: Johannes Ranke Date: 2019-02-19 17:03:58 +0100 Add python-rdkit to travis configuration commit 87f9c5315c751896c2eef1fdbe8f93c5b151577e Author: Johannes Ranke 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 Date: 2018-09-27 18:57:55 +0200 Soil names for soil sorption tables commit d665fd715ac798ac54975648543e804732df45c8 Author: Johannes Ranke Date: 2018-06-29 14:37:30 +0200 More details for soil degradation commit 9cd6a79cd5c0fc69ca0b2c689d3a77f46978beba Author: Johannes Ranke Date: 2018-06-21 12:29:51 +0200 Add country field to soil degradation data commit d1786a315fe7bc68a6543de15685d59a56eaa1b1 Author: Johannes Ranke Date: 2018-05-20 12:25:51 +0200 Change pH_type to pH_medium commit 7ac3347283fdcaa0a8c76af20b0a7cfa423368b9 Author: Johannes Ranke Date: 2018-05-18 17:32:47 +0200 Revisited soil degradation and sorption commit 12e69e162df47660d139cb3c4a5c9bff0f6a1d85 Author: Johannes Ranke 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 Date: 2018-03-01 09:48:02 +0100 Rebuild static documentation with current pkdown commit 3f82707cd1e974848185b1141c69734e2573594d Author: Johannes Ranke Date: 2017-06-13 16:05:39 +0200 Make grConvert optional as it vanished on Windows commit f5b36dc73e7778091a08eaed51fd9d4f8677fbc1 Author: Johannes Ranke Date: 2017-03-17 21:19:14 +0100 Support a common template for depictions commit 13c59928390dd38073c7664ea1d2961d11ba60e2 Author: Johannes Ranke Date: 2017-03-15 15:16:34 +0100 Rerun pkgdown commit db711aaff2cbe3a620c497b1ef2cc3669d89b2b6 Author: Johannes Ranke Date: 2017-03-15 09:16:19 +0100 Some minor cosmetics and pkgdown update commit b04bfb3648716a142167ac025c09239739c691f0 Author: Johannes Ranke Date: 2017-03-06 15:05:24 +0100 Correct link to the reference on pkgdown.jrwb.de commit 7733340571ba735bb15ad18249cbdd5ac43e4ccd Author: Johannes Ranke Date: 2017-03-06 15:02:08 +0100 Type on README commit 62c0a43b968ff36786c73396e030a1de4ad4f326 Author: Johannes Ranke Date: 2017-03-06 14:58:00 +0100 Delete leftovers from staticdocs, rerun pkgdown commit 657ca16cf5364d79e0ac2ae763b4bbfea38f78f6 Author: Johannes Ranke Date: 2017-03-06 14:55:11 +0100 Update pkgdown commit beef9009a12623e62816f8ff322647481685b535 Author: Johannes Ranke Date: 2017-03-06 14:54:15 +0100 Some updates commit aac6606d2aee79e547f725353a42266c00ed2299 Author: Johannes Ranke Date: 2017-03-06 14:52:04 +0100 Switch to pkgdown and link to pkgdown.jrwb.de commit 6248971edad72b30f7f609a6bb2217d0b41498a0 Author: Johannes Ranke Date: 2016-12-19 22:08:48 +0100 Make the pdf structures larger, update docs commit 762114a5ea6393cc73a09616b937397349c1a259 Author: Johannes Ranke 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 Date: 2016-10-15 01:01:21 +0200 Meta infos for pdf and self$Picture, png function commit e85f61000c139492ec6497aa3c6206a66b54d783 Author: Johannes Ranke Date: 2016-10-14 15:24:43 +0200 Better handling of ambiguous names and "source"s commit 70e16d8ca726ed9d894bd219018838ce4b0f22a0 Author: Johannes Ranke Date: 2016-10-13 20:13:27 +0200 chents for windows! commit 6cfe5fbd827ca37f24134e8356e8144520ee1265 Author: Johannes Ranke Date: 2016-10-13 17:28:14 +0200 Remove unmaintained usage commit 5a9a777987fd7ac0d5724e4cfdb2178fa1567281 Author: Johannes Ranke Date: 2016-10-13 17:23:12 +0200 Commit changelog as test for mirroring on github commit 291337e920cc95510fce3c0cdcc62b4443cd3bc4 Author: Johannes Ranke Date: 2016-10-13 14:03:19 +0200 Fix retrieving pubchem infos for ambiguous names commit 65c481910d65f6935b7f52450ea809586e71d384 Author: Johannes Ranke Date: 2016-10-13 10:08:32 +0200 Do not fail if PythonInR is not installed commit 7517eb0ed1a66488b937c039d4bcadefeff6b479 Author: Johannes Ranke Date: 2016-10-08 03:07:50 +0200 Add a method to write cropped pdf files commit d22214d9f1b17bd3ab2febe810ab996bebb01410 Author: Johannes Ranke Date: 2016-09-28 08:56:57 +0200 Add drat target commit cc5ba9d7cf9435bc6243222691b76d35c866aea5 Author: Johannes Ranke Date: 2016-09-27 19:31:04 +0200 Update .Rbuildignore commit 7915ca3a209a052902893cb583e15cee85854821 Author: Johannes Ranke Date: 2016-09-27 17:48:38 +0200 Make the new README commit 2985771a8fad29e2ebeef533adcf81d621fb5a35 Author: Johannes Ranke Date: 2016-09-27 17:46:59 +0200 Remove header with metadata, misrendered on github commit e23da46d572df2636d68572710b1f2ffbf27b7bd Author: Johannes Ranke Date: 2016-09-27 17:39:28 +0200 Remove mathjax from README commit 5bec469048899cfd785dec4f91ec3840cff18adb Author: Johannes Ranke Date: 2016-09-27 16:43:15 +0200 Add a bit of info to README commit b3e6adc8da99f895fa9d289133de60ce1d5bd889 Author: Johannes Ranke Date: 2016-09-27 16:43:15 +0200 Add a bit of info to README commit 1532aadbd632a3b82032de3f0b0f377660617a9f Author: Johannes Ranke Date: 2016-09-27 16:14:36 +0200 Add pp to the list of classes for staticdocs commit 40d06320e097434a924c0d57b26e5e1a7574625c Author: Johannes Ranke Date: 2016-09-27 16:11:25 +0200 Add staticdocs commit 81672751d5b23ed73c9b05bb02c52f0ee854de77 Author: Johannes Ranke Date: 2016-09-27 15:08:20 +0200 PythonInR optional, adapt to current webchem commit 26748e386a386f8459edb4f061012f099d34de7d Author: Johannes Ranke Date: 2015-10-16 15:35:33 +0200 Some improvements, especially in loading chyaml commit a892d1dc3c2a3724063f4d671f7f261ff5392884 Author: Johannes Ranke Date: 2015-10-02 13:01:38 +0200 Some maintenance work commit f908377f1de2e04ca3720d10084169c46a477ce2 Author: Johannes Ranke 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 Date: 2015-09-11 10:04:54 +0200 Working version with basic functionality commit 7cc5df2ad1e2a1aa5c6d4d9f5865491c6b30ee2a Author: Johannes Ranke Date: 2015-08-26 13:24:57 +0200 Initial commit