Merge pull request #103 from zachcp/cranchecks23

Cranchecks23

Author: rajarshi

rcdk/.Rbuildignore

@@ -4,3 +4,4 @@
 ^_pkgdown\.yml$
 ^docs$
 ^pkgdown$
+^revdep$

rcdk/DESCRIPTION

@@ -1,5 +1,5 @@
 Package: rcdk
-Version: 3.4.9.2
+Version: 3.5.0
 Date: 2019-01-21
 Title: Interface to the 'CDK' Libraries
 Authors@R: c(person('Rajarshi', 'Guha', role=c('aut',"cph"), email='rajarshi.guha@gmail.com'),

rcdk/NAMESPACE

@@ -26,6 +26,7 @@ export(get.chem.object.builder)
 export(get.connected.atom)
 export(get.connected.atoms)
 export(get.connection.matrix)
+export(get.depictor)
 export(get.desc.categories)
 export(get.desc.names)
 export(get.element.types)

rcdk/NEWS

@@ -1,3 +1,4 @@
+v3.5.0 - update to RCDKlibs 2.3. This changes uderlying AtomContainer defualt to Atomcontainer2 and also has new support for mass spec mass functions. On the rcdk side we have moved to a tidyverse documentation and build system.
 v3.4.7 - minor update to comply with CRAN policy. Minimum Java 8 required; fix an issue where unittests were writing to system files.
 
 v3.3.5 - update to work with CDK 1.5.13 with the new Depiction module

rcdk/R/visual.R

@@ -45,6 +45,23 @@
 ##   }
 ## }
 
+#' get.depictor
+#' 
+#' return an RcdkDepictor.
+#' 
+#' @param width Default. \code{200}
+#' @param height Default. \code{200}
+#' @param zoom Default. \code{1.3}
+#' @param style Default. \code{cow}
+#' @param annotate Default. \code{off}
+#' @param abbr Default. \code{on}
+#' @param suppressh Default. \code{TRUE}
+#' @param showTitle Default. \code{FALSE}
+#' @param smaLimit Default. \code{100}
+#' @param sma Default. \code{NULL}
+#' 
+#' @export
+#' 
 get.depictor <- function(width = 200, height = 200, zoom = 1.3, style = "cow", annotate = "off", abbr = "on",
                          suppressh = TRUE, showTitle = FALSE, smaLimit = 100, sma = NULL) {
   if (is.null(sma)) sma <- ""