[CHNOSZ-commits] r106 - in pkg/CHNOSZ: . R inst

[noreply at r-forge.r-project.org]

Author: jedick
Date: 2016-02-17 16:33:17 +0100 (Wed, 17 Feb 2016)
New Revision: 106

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/R/makeup.R
   pkg/CHNOSZ/inst/NEWS
Log:
makeup() works even if 'thermo' is not loaded


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2016-01-09 04:28:41 UTC (rev 105)
+++ pkg/CHNOSZ/DESCRIPTION	2016-02-17 15:33:17 UTC (rev 106)
@@ -1,6 +1,6 @@
-Date: 2016-01-09
+Date: 2016-02-17
 Package: CHNOSZ
-Version: 1.0.7-3
+Version: 1.0.7-4
 Title: Chemical Thermodynamics and Activity Diagrams
 Author: Jeffrey Dick
 Maintainer: Jeffrey Dick <j3ffdick at gmail.com>

Modified: pkg/CHNOSZ/R/makeup.R
===================================================================
--- pkg/CHNOSZ/R/makeup.R	2016-01-09 04:28:41 UTC (rev 105)
+++ pkg/CHNOSZ/R/makeup.R	2016-02-17 15:33:17 UTC (rev 106)
@@ -220,10 +220,13 @@
     }
     return(out)
   }
-  # if the formula argument is numeric, get the formula
-  # of that species number in thermo$obigt
-  thermo <- get("thermo")
-  if(is.numeric(formula)) formula <- thermo$obigt$formula[formula]
+  # if the formula argument is numeric,
+  # and if the thermo object is available,
+  # get the formula of that numbered species from thermo$obigt
+  if("CHNOSZ" %in% search()) {
+    thermo <- get("thermo", "CHNOSZ")
+    if(is.numeric(formula)) formula <- thermo$obigt$formula[formula]
+  }
   # first deal with charge
   cc <- count.charge(formula)
   # count.elements doesn't know about charge so we need
@@ -248,9 +251,11 @@
   # all done with the counting, now apply the multiplier
   out <- out * multiplier
   # complain if there are any elements that look strange
-  are.elements <- names(out) %in% thermo$element$element
-  if(!all(are.elements)) warning(paste("element(s) not in thermo$element:", 
-    paste(rownames(out)[!are.elements], collapse=" ") ))
+  if("CHNOSZ" %in% search()) {
+    are.elements <- names(out) %in% thermo$element$element
+    if(!all(are.elements)) warning(paste("element(s) not in thermo$element:", 
+      paste(rownames(out)[!are.elements], collapse=" ") ))
+  }
   # done!
   return(out)
 }

Modified: pkg/CHNOSZ/inst/NEWS
===================================================================
--- pkg/CHNOSZ/inst/NEWS	2016-01-09 04:28:41 UTC (rev 105)
+++ pkg/CHNOSZ/inst/NEWS	2016-02-17 15:33:17 UTC (rev 106)
@@ -1,4 +1,4 @@
-CHANGES IN CHNOSZ 1.0.7-3 (2016-01-09)
+CHANGES IN CHNOSZ 1.0.7-4 (2016-02-17)
 --------------------------------------
 
 - Add gypsum to OBIGT.csv.
@@ -19,6 +19,9 @@
 
 - Use given/family naming scheme in inst/CITATION.
 
+- makeup() now works even if 'thermo' object is not available (useful
+  for other packages importing this function).
+
 CHANGES IN CHNOSZ 1.0.7 (2015-11-19)
 ------------------------------------