From d97e57a36e6b76def7a980fa6a06b2827df39c3e Mon Sep 17 00:00:00 2001
From: Johannes Ranke
TPs
List of transformation products as chent objects -Add a transformation product to the internal list
List of transformation products as chent objects
transformations
Data frame of observed transformations -Add a line in the internal dataframe holding observed transformations
Data frame of observed transformations
soil_degradation
Dataframe of modelling DT50 values -Add a line in the internal dataframe holding modelling DT50 values
Dataframe of modelling DT50 values
soil_ff
soil_sorption
Dataframe of soil sorption data -Add soil sorption data
Dataframe of soil sorption data
new()
Creates a new instance of this R6 class.
-Try to get chemical information from PubChem
Creates a new instance of this R6 class.
chent$new(
identifier,
@@ -225,8 +220,7 @@ directory?
try_pubchem()
get_pubchem()
Get chemical information from PubChem for a known PubChem CID
@@ -264,8 +256,7 @@ Get chemical information from PubChem for a known PubChem CIDget_rdkit()
Get chemical information from RDKit if available -Obtain information from a YAML file
Get chemical information from RDKit if available
@@ -281,8 +272,7 @@ Obtain information from a YAML fileget_chyaml()
Obtain information from a YAML file
chent$get_chyaml(
repo = c("wd", "local", "web"),
@@ -299,8 +289,7 @@ the web (not implemented).
chyaml
-The filename to be looked for
-Add a vapour pressure
+The filename to be looked for
add_p0()
Add a vapour pressure
@@ -317,8 +305,7 @@ Add a vapour pressurep0
The vapour pressure in Pa -Add a water solubility
The vapour pressure in Pa
T
add_cwsat()
Add a water solubility
@@ -351,8 +337,7 @@ Add a water solubilitycwsat
The water solubility in mg/L -Add a plant uptake factor
The water solubility in mg/L
T
add_PUF()
Add a plant uptake factor
chent$add_PUF(
PUF = 0,
@@ -414,8 +398,7 @@ Add a plant uptake factor
add_TP()
Add a transformation product to the internal list
@@ -439,8 +422,7 @@ Add a plant uptake factoradd_transformation()
Add a line in the internal dataframe holding observed transformations
chent$add_transformation(
study_type,
@@ -486,8 +468,7 @@ result from stochiometric transformation
add_soil_degradation()
Add a line in the internal dataframe holding modelling DT50 values
chent$add_soil_degradation(
soils,
@@ -593,8 +574,7 @@ the technical active ingredient
add_soil_ff()
Add one or more formation fractions for degradation in soil
@@ -630,8 +610,7 @@ the technical active ingredientadd_soil_sorption()
Add soil sorption data
chent$add_soil_sorption(
soils,
@@ -715,8 +694,7 @@ or according to Freundlich
pdf()
Write a PDF image of the structure -Write a PNG image of the structure
Write a PDF image of the structure
chent$pdf(
file = paste0(self$identifier, ".pdf"),
@@ -744,8 +722,7 @@ Write a PNG image of the structure
Method png()
-
-
+Write a PNG image of the structure
Usage
chent$png(
file = paste0(self$identifier, ".png"),
diff --git a/docs/reference/pai.html b/docs/reference/pai.html
index 30bbbac..b24c78e 100644
--- a/docs/reference/pai.html
+++ b/docs/reference/pai.html
@@ -96,8 +96,7 @@ at <pesticidecompendium.bcpc.org>
chents::chent$try_pubchem()
Method new()
-
-
+Create a new pai object
Usage
pai$new(
iso,
diff --git a/docs/reference/ppp.html b/docs/reference/ppp.html
index ef3933d..f7b7705 100644
--- a/docs/reference/ppp.html
+++ b/docs/reference/ppp.html
@@ -68,8 +68,7 @@ product
density_units
-Defaults to g/L
-Creates a new instance of this R6 class.
+Defaults to g/L
@@ -84,8 +83,7 @@ Creates a new instance of this ppp$clone()