Mercurial > repos > prog > lcmsmatching
annotate MassdbConn.R @ 1:253d531a0193 draft
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
| author | prog |
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| date | Sat, 03 Sep 2016 17:02:01 -0400 |
| parents | |
| children | 20d69a062da3 |
| rev | line source |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
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changeset
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1 if ( ! exists('MassdbConn')) { |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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2 |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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3 source('BiodbConn.R') |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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4 |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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5 ##################### |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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6 # CLASS DECLARATION # |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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7 ##################### |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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8 |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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9 MassdbConn <- setRefClass("MassdbConn", contains = "BiodbConn") |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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10 |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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11 ############################### |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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12 # GET CHROMATOGRAPHIC COLUMNS # |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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13 ############################### |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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14 |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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15 # Get a list of chromatographic columns contained in this database. |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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16 # compound.ids A list of compound IDs used to filter results. |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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17 # The returned value is a data.frame with two columns : one for the ID (BIODB.ID) and another one for the title (BIODB.TITLE). |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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18 MassdbConn$methods( getChromCol = function(compound.ids = NULL) { |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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19 stop("Method getChromCol() is not implemented in concrete class.") |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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20 }) |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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21 |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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22 ################# |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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23 # GET MZ VALUES # |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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24 ################# |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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25 |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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26 # Returns a numeric vector of all masses stored inside the database. |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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27 MassdbConn$methods( getMzValues = function(mode = NULL, max.results = NA_integer_) { |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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28 stop("Method getMzValues() not implemented in concrete class.") |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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29 }) |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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30 |
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253d531a0193
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 36c9d8099c20a1ae848f1337c16564335dd8fb2b
prog
parents:
diff
changeset
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31 } |
