github.com/OpenMS/OpenMS commits | Ecosyste.ms: OpenCollective

added experimental support for chromatograms in kernel and mzML

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5925 6adb6e08-d915-0410-9...

ed7fc38016c2d3adc871b8a321790777fab185f1 authored about 15 years ago by Andreas Bertsch <[email protected]>

mzML: updated to latest CV; FileInfo: changed ranges output precision

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5922 6adb6e08-d915-0410-9...

9d813abd0e133022fc240dcaa93e052b35f0759f authored about 15 years ago by Marc Sturm <[email protected]>

fixed negative charged implementation and added some more testing; minor ERPairFinder and MRMPairFinder improvements

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5921 6adb6e08-d915-0410-9...

70af919b14acb7651c07e0e0baec0fd964797690 authored about 15 years ago by Andreas Bertsch <[email protected]>

added negative charge support for empirical formula

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5920 6adb6e08-d915-0410-9...

3c016c8dc80e70be94fe17197124464e540d8fe2 authored about 15 years ago by Andreas Bertsch <[email protected]>

Readded PILISIdentification

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5915 6adb6e08-d915-0410-9...

1cf6abe3ba27b730b298d0d7379a60fd0a62bbfe authored about 15 years ago by Marc Sturm <[email protected]>

** updated License.txt to 2009

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5912 6adb6e08-d915-0410-9...

fdd18452d741e99ed350429761e8665cdcbfaac0 authored about 15 years ago by Chris Bielow <[email protected]>

fixed errornous description for mac binary installer

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5911 6adb6e08-d915-0410-9...

838f1b71313043fe5eb470de10a316671527a35e authored about 15 years ago by Andreas Bertsch <[email protected]>

fixed problem with out-of-source builds of docu - doxygen searched for CHANGELOG in BIN and not in SRC

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5910 6adb6e08-d915-0410-9...

98e34626d1482ed2ce0e8eb192841ae514a5756d authored about 15 years ago by Stephan Aiche <[email protected]>

todo change

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5909 6adb6e08-d915-0410-9...

4f7bf27f887dfe6537ae67579e36273bc90bd877 authored about 15 years ago by Marc Sturm <[email protected]>

Merged Release branch into HEAD

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5908 6adb6e08-d915-0410-9...

2d77b9b5e5afdeb86ce47ba69dcd804968a8b895 authored about 15 years ago by Marc Sturm <[email protected]>

tests, still some things might be buggy

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5672 6adb6e08-d915-0410-9...

e3f686ff06dad1ccb08f673066c1375e1e3a9991 authored about 15 years ago by Andreas Bertsch <[email protected]>

modification changes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5671 6adb6e08-d915-0410-9...

8cae20a46be2672992869b67fd6bc84d8dd7898b authored about 15 years ago by Andreas Bertsch <[email protected]>

TOPPAS:

* added "-execute <File>" switch (loads and runs a pipelines without starting the gui)
* some mor...

57c3823121fbe6dcacf22d61a8c54b66e479bc68 authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS: finished list iteration mode for tools with single file parameters

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5669 6adb6e08-d915-0410...

8810383d8e86fe8bd6efb3936c1244187c6179a0 authored about 15 years ago by Johannes Veit <[email protected]>

bugs fixed

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5668 6adb6e08-d915-0410-9...

4264ba97409bc773f7a86c78e376f3caf2fdb445 authored about 15 years ago by Sandro Andreotti <[email protected]>

commenting

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5667 6adb6e08-d915-0410-...

1262037152381760c743519c0eaa8b1429fd11a2 authored about 15 years ago by Sandro Andreotti <[email protected]>

removed Test which is already performed by base class

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5666 6adb6e08-d915-0410-...

9bc6294bc8f0b490cc0337b4e6493c33a25189de authored about 15 years ago by Sandro Andreotti <[email protected]>

updates of modification classes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5665 6adb6e08-d915-0410-9...

4cb310f6deaddf8f04e3463a236368820328666a authored about 15 years ago by Andreas Bertsch <[email protected]>

updated ER pairfinder

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5664 6adb6e08-d915-0410-9...

00727261d1352c6cf1d9f618d9008f590a993bd3 authored about 15 years ago by Andreas Bertsch <[email protected]>

deleted debug stuff

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5663 6adb6e08-d915-0410-...

9a2fcb89e7f614f63eb11e7959aa8adc6451d9b9 authored about 15 years ago by Sandro Andreotti <[email protected]>

Added few classes and a model file.

Adapted the .cmake files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS...

816f0fae90a4cb292e4201bf8713377f3749d9a5 authored about 15 years ago by Sandro Andreotti <[email protected]>

made member functions virtual since the new class AdvancedTheoreticalSpectrumGenerator in now inheriting.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5661 6adb6e08-d915-0410-...

ca51a56279a1c483d1cb3373083cfc0bea85628e authored about 15 years ago by Sandro Andreotti <[email protected]>

fixed high mass accuracy errors; extended modification handling

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5660 6adb6e08-d915-0410-9...

175cb9ff8d3cde907633b3f0152a420446eb290e authored about 15 years ago by Andreas Bertsch <[email protected]>

** fixing errors from nightly build (2 tests remain broken)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5659 6adb6e08-d915-0410-9...

f7dacb15fb89370bd0033ae7f073ae7717ef2ce5 authored about 15 years ago by Chris Bielow <[email protected]>

TOPPAS: minor optical change

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5658 6adb6e08-d915-0410...

38f761835e14e679b528b7ec7f68504ada0d797a authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS:

* added context menus for all items
* prepared list iteration mode for all tools
* minor optical ...

935d3b726db8f812eee4ab35af14a5448f584a11 authored about 15 years ago by Johannes Veit <[email protected]>

added temporary modification

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5656 6adb6e08-d915-0410-9...

acaa60905556c127d4c5bab05b5528d467431984 authored about 15 years ago by Andreas Bertsch <[email protected]>

updated PILIS implementation

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5655 6adb6e08-d915-0410-9...

b0594a8b476af97032f39a6e0a7932e5dba9539f authored about 15 years ago by Andreas Bertsch <[email protected]>

implemented residue sets, definition of different sets of residues (natural20, all, ambiguous....)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5654 6adb6e08-d915-0410-9...

db6ab5a95cc917cf79f07f602020617711f95432 authored about 15 years ago by Andreas Bertsch <[email protected]>

TOPPAS: cosmetic improvements

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5653 6adb6e08-d915-0410...

97dca48816cb186cea1def862ac906e6c0d996be authored about 15 years ago by Johannes Veit <[email protected]>

** fixed MALDI ionization errors

** fixed wrong adduct masses
** some more debug for decharging

git-svn-id: https://open-ms.svn.s...

4fd684bf866cc6009aa7dae26638a997a436aff8 authored about 15 years ago by Chris Bielow <[email protected]>

TOPPAS: changed tmp dir to QDir::tempPath()

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5650 6adb6e08-d915-0410...

0aa37a0466ac0a6efc42d54dff591e0532055217 authored about 15 years ago by Johannes Veit <[email protected]>

** fixed more errors and warnings

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5649 6adb6e08-d915-0410-9...

54d6a32cd9c94596e9e57af45e9e864e07f7e259 authored about 15 years ago by Chris Bielow <[email protected]>

** fixed warnings and errors from Base64 (again)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5648 6adb6e08-d915-0410-9...

ca71a6992ecefd32727f417e73ee8b8c11898659 authored about 15 years ago by Chris Bielow <[email protected]>

** fixed fatal error (hopefully the way it was meant to be)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5647 6adb6e08-d915-0410-9...

c22834f9a7309497e62d65aa435b99384babaa14 authored about 15 years ago by Chris Bielow <[email protected]>

merged BScDavid with HEAD

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5646 6adb6e08-d915-0410-9...

6474fd377553482aca1a7adf89ba74041d8bff2c authored about 15 years ago by David Wojnar <[email protected]>

implemented 32/64 integer array and null terminated strings

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5645 6adb6e08-d915-0410-9...

a582c30bdac1cbfccef1028afa285c52ce6cfbdf authored about 15 years ago by David Wojnar <[email protected]>

TOPPAS: added fancy progress lights

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5643 6adb6e08-d915-0410...

0317b0fe863b713cc60c73fabca0b964fbbd3187 authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS: temporarily set temporary path to "" ;)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5642 6adb6e08-d915-0410...

48a48086a970c1c1271b57df3c30f1fd8c0061d8 authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS: made input/output file dialogs more convenient

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5641 6adb6e08-d915-0410...

0d90c93d8a2cc3cbd8030e30dd8880e744338698 authored about 15 years ago by Johannes Veit <[email protected]>

updates

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5640 6adb6e08-d915-0410-9...

162372dc4436b678e0330a559a902429f5d332ca authored about 15 years ago by Andreas Bertsch <[email protected]>

minor changes in parameter names and baseline generation -> we still should improve the underlying function that generates the baseline

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5638 6adb6e08-d915-0410-9...

9231dd327bf81ca609eda121104571f23f86e8d8 authored about 15 years ago by Stephan Aiche <[email protected]>

TOPPAS: more error output in log when a TOPP tool crashes/fails

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5637 6adb6e08-d915-0410...

1b284f1fe01462f27c2af4a0d436b1591a8299f2 authored about 15 years ago by Johannes Veit <[email protected]>

** fixed Win install docu

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5636 6adb6e08-d915-0410-9...

f00df9ce08b390d900be602fdc641dec7c47f18a authored about 15 years ago by Chris Bielow <[email protected]>

TOPPAS: temporary files are now removed

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5635 6adb6e08-d915-0410...

80b29e6c94879630d8e85f381e58098732007e1d authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS: improved behaviour of output file list dialogs

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5632 6adb6e08-d915-0410...

d99b38056baebc83fcf01c9c859f2c8e633ecffe authored about 15 years ago by Johannes Veit <[email protected]>

fixed a number of mass accuracy issues

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5631 6adb6e08-d915-0410-9...

ad03321e0907b23d399729c5bae17af5006a647e authored about 15 years ago by Andreas Bertsch <[email protected]>

added export Macros to the classes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5630 6adb6e08-d915-0410-9...

0c2810c79605f30bf5ab29c9ad523675df20aa9a authored about 15 years ago by Andreas Bertsch <[email protected]>

TOPPAS: improved behaviour of output file list dialogs

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5629 6adb6e08-d915-0410...

985fd646fe698742e2640d4304f086ee06143c6e authored about 15 years ago by Johannes Veit <[email protected]>

correct EmpiricalFormula and Theo spec gen implementation; precursor masses are now mono isotopic

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5628 6adb6e08-d915-0410-9...

206bd6c92dd1d74cde011054364f0071b54dcb28 authored about 15 years ago by Andreas Bertsch <[email protected]>

TOPPAS: overwrite output files if already existent

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5627 6adb6e08-d915-0410...

ff42b082f7049a8abb5f94ccc10be52b07650dd9 authored about 15 years ago by Johannes Veit <[email protected]>

fixed AASequence_test (charge handling is now correct, protons instead of hydrogen atoms)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5626 6adb6e08-d915-0410-9...

23ee4d426b7fdfd042edcbf7d0445602c54c7296 authored about 15 years ago by Andreas Bertsch <[email protected]>

TOPPAS: more log output, avoided redundant TOPP tool runs

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5625 6adb6e08-d915-0410...

b4c909f260d0efd61fbcff37fd6b850ead306174 authored about 15 years ago by Johannes Veit <[email protected]>

replaced PROTON and NEUTRON masses; added functionality to IDMassAccurracy

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5624 6adb6e08-d915-0410-9...

75ed3d1c73f88cbb3f09b0a35bb41cb3a141aa5e authored about 15 years ago by Andreas Bertsch <[email protected]>

added unit masses for proton, neutron and electron

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5623 6adb6e08-d915-0410-9...

3ae4a81e1c3a8f6d19878b20d314e027d10b8896 authored about 15 years ago by Andreas Bertsch <[email protected]>

TOPPAS: finished output file dialogs

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5622 6adb6e08-d915-0410...

922c45ba820853918536d7d228d9bd753976353b authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS: improved storing/loading of lists

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5621 6adb6e08-d915-0410...

26858c229b8ab1968c43b4c33707ed2ad5e5a3a8 authored about 15 years ago by Johannes Veit <[email protected]>

removed debug output, silenced TOPP tools output again

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5620 6adb6e08-d915-0410...

a52bb5f8c1aee9edb14dcdb38f404c4b48532961 authored about 15 years ago by Johannes Veit <[email protected]>

fixed problem with imslib in debug mode (thanks to Chris and Stephan)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5619 6adb6e08-d915-0410-9...

73ace94f04a06060de32cd3488f80bf965489ad1 authored about 15 years ago by Andreas Bertsch <[email protected]>

TOPPAS: fixed bug that caused duplicate output arguments in TOPP tool calls

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5618 6adb6e08-d915-0410...

07347c0c38918a217bb0750a9a15c4d977f2ae98 authored about 15 years ago by Johannes Veit <[email protected]>

added warning for bug; no idea why this happens

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5617 6adb6e08-d915-0410-9...

a82be130ab792b461c40ea4665d891a5fc434883 authored about 15 years ago by Andreas Bertsch <[email protected]>

added CompNovo TOPP-tool

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5616 6adb6e08-d915-0410-9...

3a7242375db07ac07eb7843d0e3462cbcd56020e authored about 15 years ago by Andreas Bertsch <[email protected]>

turned TOPPAS in a real Mac app

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5615 6adb6e08-d915-0410-9...

089c3f4bb28b3d85dfe97f4a652609a3ee47deba authored about 15 years ago by Andreas Bertsch <[email protected]>

minor changes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5614 6adb6e08-d915-0410-9...

264e9e3babee5d2780e27d7de1b392c90c27ca02 authored about 15 years ago by Andreas Bertsch <[email protected]>

** fixed majority of new warnings from IMS code.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5613 6adb6e08-d915-0410-9...

d91504278a47e0c44c150c33aace41875732ca4c authored about 15 years ago by Chris Bielow <[email protected]>

forgot something

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5612 6adb6e08-d915-0410...

ca2214008dbaccc9c9e0a8222b212b41bb8e9716 authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS:

* edges and vertices can now notify each other about changes in the pipeline
* changed pipeline e...

6efb01a55afc88c6bb956797ea786b9cf21028df authored about 15 years ago by Johannes Veit <[email protected]>

activated new imslib code for CompNovo

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5610 6adb6e08-d915-0410-9...

9473a8279a87e2302fc4ed82c77ecf8fab228111 authored about 15 years ago by Andreas Bertsch <[email protected]>

fixed wrong includes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5607 6adb6e08-d915-0410-9...

4edbfd7f070924449508ba571c77050228e4a087 authored about 15 years ago by Andreas Bertsch <[email protected]>

** initial fix of CompNovo on windows... looks good for now

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5604 6adb6e08-d915-0410-9...

820c45990e980884815568b0a001200000c2dccc authored about 15 years ago by Chris Bielow <[email protected]>

TOPPAS: added output file dialogs

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5602 6adb6e08-d915-0410...

33bb6caa0fa24eb17948187062bce3c0384f036d authored about 15 years ago by Johannes Veit <[email protected]>

updated MRM feature finder; first alpha version\!

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5600 6adb6e08-d915-0410-9...

096fd1c8d76d3097c3cfac8098b2d8c35133071d authored about 15 years ago by Andreas Bertsch <[email protected]>

added IMSLIB support (commented out until win support is ready)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5598 6adb6e08-d915-0410-9...

1c648d73ad34484021b2e2190b27d473dad4ec5f authored about 15 years ago by Andreas Bertsch <[email protected]>

docu and compatibility updates

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5597 6adb6e08-d915-0410-9...

7b59f635e710d795ced80e78709815a83949cab5 authored about 15 years ago by Andreas Bertsch <[email protected]>

TOPPAS:

* finally found & fixed this evil bug causing irreproducible segfaults (turned out to be Qt's fau...

b1dfcfb6c4dd106f7da9cc178f84df46019cbefa authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS: fixed bug, set up process logging to log window

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5595 6adb6e08-d915-0410...

916ba85c7374eb91918745bd4040e91e004153cf authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS: several bugfixes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5591 6adb6e08-d915-0410...

0898e2313bc24222f199fb1fbd62ac3988e65a8b authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS now uses QProcesses instead of system calls

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5590 6adb6e08-d915-0410...

87f37f5c398e70797cb167d822762962f2c481c7 authored about 15 years ago by Johannes Veit <[email protected]>

de novo code updates

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5589 6adb6e08-d915-0410-9...

672b51ed261b8329eda26bd73cfb3e242d011376 authored about 15 years ago by Andreas Bertsch <[email protected]>

added CompNovo sources

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5588 6adb6e08-d915-0410-9...

f88a135f580176f0c68b08b8aff8f0a7568851ec authored about 15 years ago by Andreas Bertsch <[email protected]>

* fixed minor bug in TOPPASIOMappingDialog

* I/O parameters of tools are now automatically selected if there is only 1 possibility

git-sv...

8ee56dd13c5ccdb6413c6a9678cee95db6da2266 authored about 15 years ago by Johannes Veit <[email protected]>

TOPPAS: completed storing/loading of workflows

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5585 6adb6e08-d915-0410...

956c69d8f06089d56ae884e42551f4fc15820066 authored about 15 years ago by Johannes Veit <[email protected]>

** fixed test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5584 6adb6e08-d915-0410-9...

044d52aac34b7b4b06b98c95ea12f695cebb5e64 authored about 15 years ago by Chris Bielow <[email protected]>

** added CE migration time simulation to simulator

** simulator clean up

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@558...

41bfdb0ba0c064212d79c97269da3ee7b4c1fab0 authored about 15 years ago by Chris Bielow <[email protected]>

added convenience method

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5582 6adb6e08-d915-0410-9...

e59d21cea7912d0bb736e025ecacf19ee8cd3099 authored about 15 years ago by Andreas Bertsch <[email protected]>

fixed semantic validator

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5581 6adb6e08-d915-0410-9...

f739eee7f98a3b22efa54809030f208db6339b74 authored about 15 years ago by Andreas Bertsch <[email protected]>

fixed MSPFile_test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5580 6adb6e08-d915-0410-9...

8864c2506101655e4271726f00512d7663bcf792 authored about 15 years ago by Andreas Bertsch <[email protected]>

added NIST library format to known file formats, including file type estimator

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5579 6adb6e08-d915-0410-9...

9a0b6619f05aa4ede9ed7fe7923ad5bc614543b7 authored about 15 years ago by Andreas Bertsch <[email protected]>

improved options; selections of scan modes, scan activation types and zoom scans now possible (others than the selected is removed)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5578 6adb6e08-d915-0410-9...

d3064bbfa4dca1de68d5944e70195eb351ea532e authored about 15 years ago by Andreas Bertsch <[email protected]>

** changed display boundaries for "go to Feature #" in Toppview

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5577 6adb6e08-d915-0410-9...

b32977852ac68c92726f50c528bcc0ea56371222 authored about 15 years ago by Chris Bielow <[email protected]>

added todo: TOPP-tools should be able to report parameters of subsections

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5576 6adb6e08-d915-0410-9...

b52c560055420eba5d783760f16ec0d8ad44bce1 authored about 15 years ago by Andreas Bertsch <[email protected]>

added todos for FDR class

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5575 6adb6e08-d915-0410-9...

c224fc894ba4f95e1be21b664c3014b946d82e61 authored about 15 years ago by Andreas Bertsch <[email protected]>

** added charge display to drawCoordinates_ in SpectrumCanvas.C

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5574 6adb6e08-d915-0410-9...

336cf258b5cdb201e4c08fad5a90743364b7868d authored about 15 years ago by Chris Bielow <[email protected]>

removed hard-coded ProgressLogger::CMD, to also allow no progress logging

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5573 6adb6e08-d915-0410-9...

6cfde90b0d2d724be4b7b625accba0e4ecb9ce11 authored about 15 years ago by Andreas Bertsch <[email protected]>

** SimpleFF dealing with empty scans fixed (hopefully)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5570 6adb6e08-d915-0410-9...

f8a99673b144a70c9d54295b3df50a3288538cd5 authored about 15 years ago by Chris Bielow <[email protected]>

** fixed svn properties

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5568 6adb6e08-d915-0410-9...

772922109c17dfc3ff54d1538d71172b5d29ee2b authored about 15 years ago by Chris Bielow <[email protected]>

** fixed bug in FF SimpleExtender when encountering empty scan (again: vec.size()-1 is A VERY BIG NUMBER when vec.size() is zero already!!)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5564 6adb6e08-d915-0410-9...

742e780e85db3562a29b522fb85f3c82fa40d49c authored about 15 years ago by Chris Bielow <[email protected]>

added fval score for SpectraST

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5563 6adb6e08-d915-0410-9...

ea86d5c3790e4d4f1e669d02f2db6df59df1e7a6 authored about 15 years ago by Andreas Bertsch <[email protected]>

** fixed missing std:: namespace under linux

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5558 6adb6e08-d915-0410-9...

0ab7a72bc4e45c0103ca97b88dc40b9ea617850d authored over 15 years ago by Chris Bielow <[email protected]>

** minor changes to Decharger

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@5556 6adb6e08-d915-0410-9...

337e0fe64125544465e228cdcfebe602e4b13c45 authored over 15 years ago by Chris Bielow <[email protected]>