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| author | Johannes Ranke <johannes.ranke@jrwb.de> | 2026-07-03 11:51:32 +0200 |
|---|---|---|
| committer | Johannes Ranke <johannes.ranke@jrwb.de> | 2026-07-03 11:51:32 +0200 |
| commit | 88027b7a70510b48bd7525ffcd536f0808d263e7 (patch) | |
| tree | 94f83bd420d494334011ff8f67a27483130fe857 /docs/reference/chent.md | |
| parent | 32caaedcc6b6b8addc9f23fce9dca4188f692fed (diff) | |
Improve description with README text
Also, read the description into the Readme to have them
in sync and update docs with roxygen 8.
Diffstat (limited to 'docs/reference/chent.md')
| -rw-r--r-- | docs/reference/chent.md | 38 |
1 files changed, 19 insertions, 19 deletions
diff --git a/docs/reference/chent.md b/docs/reference/chent.md index 40716ce..aeaac75 100644 --- a/docs/reference/chent.md +++ b/docs/reference/chent.md @@ -6,7 +6,7 @@ RDKit if RDKit and its python bindings are installed. ## Format -An [R6::R6Class](https://r6.r-lib.org/reference/R6Class.html) generator +An [R6Class](https://r6.r-lib.org/reference/R6Class.html) generator object ## Public fields @@ -103,7 +103,7 @@ object ### Public methods -- [`chent$new()`](#method-chent-new) +- [`chent$new()`](#method-chent-initialize) - [`chent$try_pubchem()`](#method-chent-try_pubchem) @@ -139,7 +139,7 @@ object ------------------------------------------------------------------------ -### Method `new()` +### `chent$new()` Creates a new instance of this [R6](https://r6.r-lib.org/reference/R6Class.html) class. @@ -195,7 +195,7 @@ Creates a new instance of this ------------------------------------------------------------------------ -### Method `try_pubchem()` +### `chent$try_pubchem()` Try to get chemical information from PubChem @@ -217,7 +217,7 @@ Try to get chemical information from PubChem ------------------------------------------------------------------------ -### Method `get_pubchem()` +### `chent$get_pubchem()` Get chemical information from PubChem for a known PubChem CID @@ -233,7 +233,7 @@ Get chemical information from PubChem for a known PubChem CID ------------------------------------------------------------------------ -### Method `get_rdkit()` +### `chent$get_rdkit()` Get chemical information from RDKit if available @@ -249,7 +249,7 @@ Get chemical information from RDKit if available ------------------------------------------------------------------------ -### Method `get_chyaml()` +### `chent$get_chyaml()` Obtain information from a YAML file @@ -274,7 +274,7 @@ Obtain information from a YAML file ------------------------------------------------------------------------ -### Method `add_p0()` +### `chent$add_p0()` Add a vapour pressure @@ -306,7 +306,7 @@ Add a vapour pressure ------------------------------------------------------------------------ -### Method `add_cwsat()` +### `chent$add_cwsat()` Add a water solubility @@ -342,7 +342,7 @@ Add a water solubility ------------------------------------------------------------------------ -### Method `add_PUF()` +### `chent$add_PUF()` Add a plant uptake factor @@ -375,7 +375,7 @@ Add a plant uptake factor ------------------------------------------------------------------------ -### Method `add_TP()` +### `chent$add_TP()` Add a transformation product to the internal list @@ -399,7 +399,7 @@ Add a transformation product to the internal list ------------------------------------------------------------------------ -### Method `add_transformation()` +### `chent$add_transformation()` Add a line in the internal dataframe holding observed transformations @@ -444,7 +444,7 @@ Add a line in the internal dataframe holding observed transformations ------------------------------------------------------------------------ -### Method `add_soil_degradation()` +### `chent$add_soil_degradation()` Add a line in the internal dataframe holding modelling DT50 values @@ -549,7 +549,7 @@ Add a line in the internal dataframe holding modelling DT50 values ------------------------------------------------------------------------ -### Method `add_soil_ff()` +### `chent$add_soil_ff()` Add one or more formation fractions for degradation in soil @@ -585,7 +585,7 @@ Add one or more formation fractions for degradation in soil ------------------------------------------------------------------------ -### Method `add_soil_sorption()` +### `chent$add_soil_sorption()` Add soil sorption data @@ -669,7 +669,7 @@ Add soil sorption data ------------------------------------------------------------------------ -### Method [`pdf()`](https://rdrr.io/r/grDevices/pdf.html) +### `chent$pdf()` Write a PDF image of the structure @@ -697,7 +697,7 @@ Write a PDF image of the structure ------------------------------------------------------------------------ -### Method [`png()`](https://rdrr.io/r/grDevices/png.html) +### `chent$png()` Write a PNG image of the structure @@ -725,7 +725,7 @@ Write a PNG image of the structure ------------------------------------------------------------------------ -### Method `emf()` +### `chent$emf()` Write an EMF image of the structure using [emf](https://rdrr.io/pkg/devEMF/man/emf.html) @@ -746,7 +746,7 @@ Write an EMF image of the structure using ------------------------------------------------------------------------ -### Method `clone()` +### `chent$clone()` The objects of this class are cloneable with this method. |