On Sep 7, 2017, at 11:02 PM, Thomas Girke <thomas.gi...@ucr.edu> wrote:
Sure, it’s pretty long but here it is:
git show 8210e1e04e8dc6819b84820077293d8d61914cf5
commit 8210e1e04e8dc6819b84820077293d8d61914cf5
Author: Kevin Horan <
kho...@cs.ucr.edu
Date: Fri Jun
30 21:37:15 2017 +0000
fix
for RSQLite 2
git-svn-id: file:///home/git/
hedgehog.fhcrc.org/bioconductor/branches/RELEASE_3_5/madman/Rpacks/ChemmineR@130824
bc3139a8-67e5-0310
-9ffc-ced21a209358
diff --git a/DESCRIPTION b/DESCRIPTION
index 4b4d514..c96da6e
100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -
1,8 +1,8
@@
Package: ChemmineR
Type: Package
Title: Cheminformatics Toolkit
for
R
-Version:
2.28.0
-Date:
2016-11-30
+Version:
2.28.1
+Date:
2017-6-30
Author: Y. Eddie Cao, Kevin Horan, Tyler Backman, Thomas Girke
Maintainer: Thomas Girke <
thomas.gi...@ucr.edu
Description: ChemmineR is a cheminformatics package
for analyzing drug-like small molecule data in R. Its latest version contains
functions for
efficient processing of large numbers of molecules, physicochemical
diff --git a/R/compound_db.R b/R/compound_db.R
index 76d1f6c..970c4a2
100644
--- a/R/compound_db.R
+++ b/R/compound_db.R
@@ -
38,7 +38,7 @@ initDb <- function
(handle){
collapse=
""),";",fixed=TRUE
))
#print(statements)
- Map(
function
(sql) dbOp(dbGetQuery(conn,sql)),statements)
+ Map(
function
(sql) dbOp(dbExecute(conn,sql)),statements)
}
conn
}
@@ -
54,7 +54,7 @@ dbTransaction <- function
(conn,expr){
# be paranoid about setting this as bad things will happen if its not set
enableForeignKeys(conn)
- dbGetQuery(conn,
"BEGIN TRANSACTION"
)
+ dbExecute(conn,
"BEGIN TRANSACTION"
)
ret=expr
dbCommit(conn)
ret
@@ -
64,8 +64,11 @@ dbTransaction <- function
(conn,expr){
stop(paste("db error inside transaction: "
,e$message))
})
}
-dbGetQueryChecked <-
function(conn,statement,...
){
- ret=dbGetQuery(conn,statement)
+dbGetQueryChecked <-
function(conn,statement,execute=FALSE,...
){
+
if(execute == TRUE
)
+ ret=dbExecute(conn,statement)
+
else
+ ret=dbGetQuery(conn,statement)
err=dbGetException(conn)
if(err$errorMsg[1] != "OK"
)
stop("error in dbGetQuery: ",err$errorMsg," "
,traceback())
@@ -
895,10 +898,10 @@ createFeature <- function
(conn,name, isNumeric){
dbGetQueryChecked(conn,
paste(
"CREATE TABLE feature_",name,
" (
compound_id INTEGER PRIMARY KEY REFERENCES
compounds(compound_id) ON DELETE CASCADE ON UPDATE CASCADE, "
,
-
"",name," ",sqlType," )",sep=""
))
+
"",name," ",sqlType," )",sep=""),execute=TRUE
)
#print("made table")
- dbGetQuery(conn,paste(
"CREATE INDEX feature_",name,
"_index ON
+ dbExecute(conn,paste("
CREATE INDEX feature_",name,"
_index ON
feature_
",name,"(\"",name,"\")",sep=""
))
#print("made index")
@@ -
913,7 +916,7 @@ insertDef <- function
(conn,data) {
"VALUES(:definition,:definition_checksum,:format)",sep=""
), bind.data=data[fields])
}
else if(inherits(conn,"PostgreSQLConnection"
)){
if(debug) print(data[,"definition_checksum"
])
- apply(data[,fields],
1,function
(row) dbOp(dbGetQuery(conn,
+ apply(data[,fields],
1,function
(row) dbOp(dbExecute(conn,
"INSERT INTO compounds(definition,definition_checksum,format) VALUES($1,$2,$3)"
,
row)))
}
else
{
@@ -
990,7 +993,7 @@ insertDescriptor <- function
(conn,data){
})
apply(data[,fields2],
1,function
(row) {
row[
2] = descTypes[row[2]] #translate descriptor_type to descriptor_type_id
- dbTransaction(conn,dbGetQuery(conn, paste(
"INSERT INTO compound_descriptors(compound_id,
+ dbTransaction(conn,dbExecute(conn, paste("
INSERT INTO compound_descriptors(compound_id,
descriptor_id)
",
"
VALUES( (SELECT compound_id FROM compounds WHERE definition_checksum = $1
),
(SELECT
descriptor_id FROM descriptors
@@ -
1006,7 +1009,7 @@ insertDescriptorType <- function
(conn,data){
bind.data=data)
}
else if(inherits(conn,"PostgreSQLConnection"
)){
apply(data,
1,function
(row)
- dbGetQuery(conn,paste(
"INSERT INTO descriptor_types(descriptor_type) VALUES($1)"
),row))
+ dbExecute(conn,paste(
"INSERT INTO descriptor_types(descriptor_type) VALUES($1)"
),row))
}
else
{
stop("database ",class(conn)," unsupported"
)
}
@@ -
1019,7 +1022,7 @@ updatePriorities <- function
(conn,data){
descriptor_id=:descriptor_id
", bind.data=data)
}else if(inherits(conn,"
PostgreSQLConnection
")){
apply(data[,c("
compound_id","descriptor_id","priority
")],1,function(row)
- dbGetQuery(conn,paste("
UPDATE compound_descriptors SET priority = $3 WHERE compound_id=$1
AND
+ dbExecute(conn,paste(
"UPDATE compound_descriptors SET priority = $3 WHERE compound_id=$1 AND
descriptor_id=$2"
),row))
}
else
{
stop("database ",class(conn)," unsupported"
)
@@ -
1036,13 +1039,12 @@ getPreparedQuery <- function
(conn,statement,bind.data){
#dbSendPreparedQuery(conn,statement,bind.data)
#print("sending query")
- res <- dbSendQuery(conn,statement)
+ res <- dbSendStatement(conn,statement)
#print("after sendQuery")
on.exit(dbClearResult(res))
#clear result set when this function exits
#print("after exit callback registered")
- dbBind(res,bind.data)
+ suppressWarnings(dbBind(res,bind.data))
#print("after dbBind")
- dbFetch(res)
}
git show f514d35b793e1d9462b899bf3c76cc06ab4dcc91
commit f514d35b793e1d9462b899bf3c76cc06ab4dcc91
Author: Kevin Horan <
kho...@cs.ucr.edu
Date: Fri Jun
30 21:37:15 2017 +0000
fix
for RSQLite 2
git-svn-id: file:///home/git/
hedgehog.fhcrc.org/bioconductor/branches/RELEASE_3_5/madman/Rpacks/ChemmineR@130824
bc3139a8-67e5-0310
-9ffc-ced21a209358
diff --git a/DESCRIPTION b/DESCRIPTION
index 4b4d514..c96da6e
100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -
1,8 +1,8
@@
Package: ChemmineR
Type: Package
Title: Cheminformatics Toolkit
for
R
-Version:
2.28.0
-Date:
2016-11-30
+Version:
2.28.1
+Date:
2017-6-30
Author: Y. Eddie Cao, Kevin Horan, Tyler Backman, Thomas Girke
Maintainer: Thomas Girke <
thomas.gi...@ucr.edu
Description: ChemmineR is a cheminformatics package
for analyzing drug-like small molecule data in R. Its latest version contains
functions for
efficient processing of large numbers of molecules, physicochemical
diff --git a/R/compound_db.R b/R/compound_db.R
index 76d1f6c..970c4a2
100644
--- a/R/compound_db.R
+++ b/R/compound_db.R
@@ -
38,7 +38,7 @@ initDb <- function
(handle){
collapse=
""),";",fixed=TRUE
))
#print(statements)
- Map(
function
(sql) dbOp(dbGetQuery(conn,sql)),statements)
+ Map(
function
(sql) dbOp(dbExecute(conn,sql)),statements)
}
conn
}
@@ -
54,7 +54,7 @@ dbTransaction <- function
(conn,expr){
# be paranoid about setting this as bad things will happen if its not set
enableForeignKeys(conn)
- dbGetQuery(conn,
"BEGIN TRANSACTION"
)
+ dbExecute(conn,
"BEGIN TRANSACTION"
)
ret=expr
dbCommit(conn)
ret
@@ -
64,8 +64,11 @@ dbTransaction <- function
(conn,expr){
stop(paste("db error inside transaction: "
,e$message))
})
}
-dbGetQueryChecked <-
function(conn,statement,...
){
- ret=dbGetQuery(conn,statement)
+dbGetQueryChecked <-
function(conn,statement,execute=FALSE,...
){
+
if(execute == TRUE
)
+ ret=dbExecute(conn,statement)
+
else
+ ret=dbGetQuery(conn,statement)
err=dbGetException(conn)
if(err$errorMsg[1] != "OK"
)
stop("error in dbGetQuery: ",err$errorMsg," "
,traceback())
@@ -
895,10 +898,10 @@ createFeature <- function
(conn,name, isNumeric){
dbGetQueryChecked(conn,
paste(
"CREATE TABLE feature_",name,
" (
compound_id INTEGER PRIMARY KEY REFERENCES
compounds(compound_id) ON DELETE CASCADE ON UPDATE CASCADE, "
,
-
"",name," ",sqlType," )",sep=""
))
+
"",name," ",sqlType," )",sep=""),execute=TRUE
)
#print("made table")
- dbGetQuery(conn,paste(
"CREATE INDEX feature_",name,
"_index ON
+ dbExecute(conn,paste("
CREATE INDEX feature_",name,"
_index ON
feature_
",name,"(\"",name,"\")",sep=""
))
#print("made index")
@@ -
913,7 +916,7 @@ insertDef <- function
(conn,data) {
"VALUES(:definition,:definition_checksum,:format)",sep=""
), bind.data=data[fields])
}
else if(inherits(conn,"PostgreSQLConnection"
)){
if(debug) print(data[,"definition_checksum"
])
- apply(data[,fields],
1,function
(row) dbOp(dbGetQuery(conn,
+ apply(data[,fields],
1,function
(row) dbOp(dbExecute(conn,
"INSERT INTO compounds(definition,definition_checksum,format) VALUES($1,$2,$3)"
,
row)))
}
else
{
@@ -
990,7 +993,7 @@ insertDescriptor <- function
(conn,data){
})
apply(data[,fields2],
1,function
(row) {
row[
2] = descTypes[row[2]] #translate descriptor_type to descriptor_type_id
- dbTransaction(conn,dbGetQuery(conn, paste(
"INSERT INTO compound_descriptors(compound_id,
+ dbTransaction(conn,dbExecute(conn, paste("
INSERT INTO compound_descriptors(compound_id,
descriptor_id)
",
"
VALUES( (SELECT compound_id FROM compounds WHERE definition_checksum = $1
),
(SELECT
descriptor_id FROM descriptors
@@ -
1006,7 +1009,7 @@ insertDescriptorType <- function
(conn,data){
bind.data=data)
}
else if(inherits(conn,"PostgreSQLConnection"
)){
apply(data,
1,function
(row)
- dbGetQuery(conn,paste(
"INSERT INTO descriptor_types(descriptor_type) VALUES($1)"
),row))
+ dbExecute(conn,paste(
"INSERT INTO descriptor_types(descriptor_type) VALUES($1)"
),row))
}
else
{
stop("database ",class(conn)," unsupported"
)
}
@@ -
1019,7 +1022,7 @@ updatePriorities <- function
(conn,data){
descriptor_id=:descriptor_id
", bind.data=data)
}else if(inherits(conn,"
PostgreSQLConnection
")){
apply(data[,c("
compound_id","descriptor_id","priority
")],1,function(row)
- dbGetQuery(conn,paste("
UPDATE compound_descriptors SET priority = $3 WHERE compound_id=$1
AND
+ dbExecute(conn,paste(
"UPDATE compound_descriptors SET priority = $3 WHERE compound_id=$1 AND
descriptor_id=$2"
),row))
}
else
{
stop("database ",class(conn)," unsupported"
)
@@ -
1036,13 +1039,12 @@ getPreparedQuery <- function
(conn,statement,bind.data){
#dbSendPreparedQuery(conn,statement,bind.data)
#print("sending query")
- res <- dbSendQuery(conn,statement)
+ res <- dbSendStatement(conn,statement)
#print("after sendQuery")
on.exit(dbClearResult(res))
#clear result set when this function exits
#print("after exit callback registered")
- dbBind(res,bind.data)
+ suppressWarnings(dbBind(res,bind.data))
#print("after dbBind")
- dbFetch(res)
}
Thomas
On Thu, Sep 7, 2017 at 7:39 PM Turaga, Nitesh <nitesh.tur...@roswellpark.org>
wrote:
Dear Thomas,
Can you please send me the output of the two `git show` commands?
git show 8210e1e04e8dc6819b84820077293d8d61914cf5
git show f514d35b793e1d9462b899bf3c76cc06ab4dcc91
I’ll need to take a look at those to advice accordingly.
Best,
Nitesh
On Sep 7, 2017, at 7:04 PM, Thomas Girke <thomas.gi...@ucr.edu> wrote:
Dear Nitesh,
In the release branch of our ChemmineR package I am getting a duplicate commit
error. Last week we had a similar error across several of our packages but then
you made some changes in response to a similar problem reported on the
bioc-developer site which eliminated the problem by itself. Now the problem is
back again and it is not clear to me how to resolve it. The suggestions given
here https://goo.gl/5mk8vV sound a bit harsh.
tgirke@tgirke-XPS-13-9343
:~/Dropbox/Software/ChemmineR/ChemmineR$ git push upstream RELEASE_3_5
Counting objects:
26
, done.
Delta compression using up to
4
threads.
Compressing objects:
100% (4/4
), done.
Writing objects:
100% (4/4), 387 bytes | 0
bytes/s, done.
Total
4 (delta 3), reused 0 (delta 0
)
remote: Error: duplicate commits.
remote:
remote: There are duplicate commits
in
your commit history, These cannot be
remote: pushed to the Bioconductor git server. Please make sure that this is
remote: resolved.
remote:
remote: Take a look at the documentation to fix this,
remote:
https://bioconductor.org/developers/how-to/git/sync-existing-repositories/
,
remote: particularly, point
#8 (force Bioconductor master to Github master).
remote:
remote: For more information, or help resolving this issue, contact
remote: <
bioc-devel@r-project.org
. Provide the error, the package name and
remote: any other details we might need.
remote:
remote: Use
remote:
remote: git show 8210e1e04e8dc6819b84820077293d8d61914cf5
remote: git show f514d35b793e1d9462b899bf3c76cc06ab4dcc91
remote:
remote: to see body of commits.
remote:
To g...@git.bioconductor.org:packages/ChemmineR.git
! [remote rejected] RELEASE_3_5 -> RELEASE_3_5 (pre-receive hook declined)
error: failed to push some refs to
'g...@git.bioconductor.org:packages/ChemmineR.git'
Thanks,
Thomas
--
Thomas Girke, Ph.D.
Professor of Bioinformatics
Director of HPC Center
1207F Genomics Building
University of California
Riverside, CA 92521
E-mail: thomas.gi...@ucr.edu
Phone/Cell/Text: 951-732-7072
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