From 5694ab788df7d333cf1d99faac749af360ba08c4 Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Thu, 20 Jun 2024 15:32:48 +0200 Subject: Use first 27 chars from InChIKey if BCPC returns more --- R/chent.R | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'R') diff --git a/R/chent.R b/R/chent.R index aee95f0..60c42c4 100644 --- a/R/chent.R +++ b/R/chent.R @@ -699,9 +699,9 @@ pai <- R6Class("pai", attr(self$iso, "source") <- "bcpc" attr(self$iso, "status") <- self$bcpc$status bcpc_ik = self$bcpc$inchikey - if (length(bcpc_ik) == 1 && nchar(bcpc_ik) == 27 && !is.na(bcpc_ik)) { + if (length(bcpc_ik) == 1 && !is.na(bcpc_ik)) { if (is.null(self$inchikey)) { - self$inchikey = self$bcpc$inchikey + self$inchikey = substr(self$bcpc$inchikey, 1, 27) attr(self$inchikey, "source") <- "bcpc" } else { if (bcpc_ik == self$inchikey) { -- cgit v1.2.1