From adc69bd4e1543a229fbee543940f8b92fd499682 Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Wed, 22 Oct 2025 10:35:37 +0200 Subject: Adapt to new SMILES names at PubChem This may break some code using the old smiles names "PubChem_Canonical" and "PubChem_Isomeric" instead of the new smiles names "PubChem" (including isotopic and stereochemical information) and "PubChem_Connectivity" (only containing connectivity, but still canonical). Further changes in this commit: - A fix to the test target in the makefile - Use markdown syntax for link to objects from other packages in the documentation - Adapt the tests - Increase test coverage a bit --- man/chent.Rd | 4 ++-- man/pai.Rd | 2 +- man/plot.chent.Rd | 2 +- man/ppp.Rd | 2 +- 4 files changed, 5 insertions(+), 5 deletions(-) (limited to 'man') diff --git a/man/chent.Rd b/man/chent.Rd index ba47feb..2da0169 100644 --- a/man/chent.Rd +++ b/man/chent.Rd @@ -4,7 +4,7 @@ \alias{chent} \title{An R6 class for chemical entities with associated data} \format{ -An \code{\link{R6Class}} generator object +An \link[R6:R6Class]{R6::R6Class} generator object } \description{ The class is initialised with an identifier. Chemical @@ -44,7 +44,7 @@ List of information retrieved from PubChem} \item{\code{svg}}{SVG code} -\item{\code{Picture}}{Graph as a \code{\link{picture}} object obtained using grImport} +\item{\code{Picture}}{Graph as a \link[grImport:Picture-class]{grImport::Picture} object obtained using the grImport package} \item{\code{Pict_font_size}}{Font size as extracted from the intermediate PostScript file} diff --git a/man/pai.Rd b/man/pai.Rd index d509af7..279dd24 100644 --- a/man/pai.Rd +++ b/man/pai.Rd @@ -4,7 +4,7 @@ \alias{pai} \title{An R6 class for pesticidal active ingredients and associated data} \format{ -An \code{\link{R6Class}} generator object +An \link[R6:R6Class]{R6::R6Class} generator object } \description{ This class is derived from \link{chent}. It makes it easy diff --git a/man/plot.chent.Rd b/man/plot.chent.Rd index f2850fa..ecaa01b 100644 --- a/man/plot.chent.Rd +++ b/man/plot.chent.Rd @@ -9,7 +9,7 @@ \arguments{ \item{x}{The chent object to be plotted} -\item{...}{Further arguments passed to \code{\link{grid.picture}}} +\item{...}{Further arguments passed to \link[grImport:grid.picture]{grImport::grid.picture}} } \description{ Plot method for chent objects diff --git a/man/ppp.Rd b/man/ppp.Rd index 4e456c4..a01b3bb 100644 --- a/man/ppp.Rd +++ b/man/ppp.Rd @@ -4,7 +4,7 @@ \alias{ppp} \title{R6 class for a plant protection product with at least one active ingredient} \format{ -An \code{\link{R6Class}} generator object. +An \link[R6:R6Class]{R6::R6Class} generator object. } \description{ Contains basic information about the active ingredients in the -- cgit v1.2.3