Repository revision
1:e2cbcf6fa22e

Repository 'hr2'
hg clone https://toolshed.g2.bx.psu.edu/repos/fgiacomoni/hr2

HR2 formula tool metadata
Miscellaneous
HR2 formula
find a chemical formula from a accurate mass
hr2
toolshed.g2.bx.psu.edu/repos/fgiacomoni/hr2/hr2/1.1.2
1.1.2
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/fgiacomoni/hr2/hr2/1.1.3
toolshed.g2.bx.psu.edu/repos/fgiacomoni/hr2/hr2/1.1.2 (this tool)
toolshed.g2.bx.psu.edu/repos/fgiacomoni/hr2/hr2/1.1.1.7
hr2
Requirements (dependencies defined in the <requirements> tag set)
name version type
perl-data-dumper 2.161 package
perl-text-csv 1.97 package
perl-html-template 2.97 package
hr2 1.04 package
Functional tests
name inputs outputs required files
Test-1 input_type|masse: 175.125
input_type|choice: NO
mode_condition|qtCharge: 1
mode_condition|mode: negative
atomes_basic: ['C', 'O', 'N', 'H']
regleOr: NO
verbose: 3
name: value
value
Test-2 input_type|masse: 88.052
input_type|choice: NO
mode_condition|mode: neutral
atomes_basic: ['C', 'O', 'H']
regleOr: NO
verbose: 3
name: value
value
Test-3 input_type|masse: 427.019898895
input_type|choice: NO
mode_condition|mode: neutral
atomes_basic: ['C', 'O', 'N', 'H', 'P']
regleOr: NO
atomes_sup: S
verbose: 3
name: value
value