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#2495: Chem: mmp - initial version #2495

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StLeonidas opened this issue Nov 7, 2023 — with Board Genius Sync · 1 comment
Closed

#2495: Chem: mmp - initial version #2495

StLeonidas opened this issue Nov 7, 2023 — with Board Genius Sync · 1 comment
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enhancement New feature or request

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@StLeonidas Board Genius Sync
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A basic version of molecular matched pairs analysis:

  • 1 cut fragmentation
  • pair analysis
  • fragment vs fragment analysis
  • cliffs analysis
  • c++ part exposure
@StLeonidas StLeonidas self-assigned this Nov 7, 2023
@ahadzhanian ahadzhanian added the enhancement New feature or request label Nov 8, 2023
StLeonidas added a commit that referenced this issue Nov 13, 2023
@StLeonidas
#2495: Chem: mmpa - new minilib version
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StLeonidas added a commit that referenced this issue Nov 15, 2023
@StLeonidas
#2495: Chem: mmpa - fixes
a28b6f8
StLeonidas added a commit that referenced this issue Nov 17, 2023
@StLeonidas
#2495: Chem: mmpa: first approach to multifactor analysis
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StLeonidas added a commit that referenced this issue Nov 17, 2023
@StLeonidas
#2495: Chem: mmpa - multivariate analysis update
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StLeonidas added a commit that referenced this issue Nov 22, 2023
@StLeonidas
#2495: Chem: mmpa - multivariate analysis
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StLeonidas added a commit that referenced this issue Nov 29, 2023
@StLeonidas
#2495: Chem: mmp: multivariate analysis fix
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StLeonidas added a commit that referenced this issue Nov 29, 2023
@StLeonidas
#2495: Chem: mmp - color shemas
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StLeonidas added a commit that referenced this issue Nov 30, 2023
@StLeonidas
#2495: Chem: mmp - color shemes
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StLeonidas added a commit that referenced this issue Dec 6, 2023
@StLeonidas
#2495: Chem: mmp - sample for analysis
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@dnillovna Board Genius Sync
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This issue has been mirrored in Jira: https://reddata.atlassian.net/browse/GROK-14888

@dnillovna dnillovna changed the title Chem: mmp - initial version #2495: Chem: mmp - initial version Feb 12, 2024
MariaDolotova pushed a commit that referenced this issue Feb 19, 2024
@StLeonidas
Lstolbov/grok 13973 mmpa (#2632)
1fe2193 
* GROK-13974: exposure of mmp fragmentation from minilib

* GROK-13975: mmp basic analysis with 1 cut

* GROK-14012: Chem: mmp transformation highlighted

* GROK-14035: Chem: mmp cliffs

* mmpa: fixes

* Chem: MMPa: main features exposure

* Chem: MMPa: code refinement

* Chem: mmpa: ui fixes

* Chem: MMPa: ui polishing

* Chem: MMPa: pins, polishing

* GROK-13973: Chem: Returned changes removed by merge with master

* Utils: Lines on scatter plot - fixed calculating distance to straight line, some improvements

* GROK-13973: Chem: MMPA integration with scatter plot lines renderer

* Chem: MMPa: fix filtering logics

* GROK-19373: MMPA: Fixed alignment and difference highlight

* GROK-13973: Chem: Set ratio between constant part and fragment

* GROK-13973: Utils: do not draw arrow in case line length is less than arrow width

* 2495: Chem: mmp - new minilib

* GROK-13973: Chem: Drawing molecule labels on zoom

* GROK-13973: Chem: Addition to logic of drawing labels

* Chem: chem-meta update for mmpa

* #2506: Chem: MMPa | Pairs table clears after clicking on any column header of Fragments table

* #2507: Chem: MMPa | Incorrect results in Fragments and Pairs table on start

* GROK-13973: Chem: MMPA improvements

* GROK-13973: Chem: Fixed context panel styles

* #2495: Chem: mmpa - new minilib version

* #2496: Chem: mmpa - multivariate analysis draft

* GROK-13973: Chem: MMPA - made markers and arrows smaller on sp

* GROK-13973: Chem: MMPA - changed logic of molecules labels drawing on sp

* Chem: updated utils dependency

* #2495: Chem: mmpa - fixes

* #2495: Chem: mmpa: first approach to multifactor analysis

* GROK-13973: Chem: Using forms viewer in property panel

* #2495: Chem: mmpa - multivariate analysis update

* #2495: Chem: mmpa - multivariate analysis

* 2496: Chem: mmp - refactor and coloring

* #2495: Chem: mmp: multivariate analysis fix

* #2495: Chem: mmp - color shemas

* #2495: Chem: mmp - color shemes

* Chem: drawing molecules labels on sp on zoom

* GROK-13973: Chem: resolved conflicts from merge with master

* GROK-13973: Chem: fixed rendering after merge with master

* #2495: Chem: mmp - sample for analysis

* #2552: Chem: mmpa - generation of all potent combinations

* Chem: MMPA: Molecules labels on sp - small fixes

* Chem: updated utils dependency

* Chem: mmpa - fixes for new minilib

* Chem: mmpa - trellis fix

* GROK-13973: Chem: Removed global variables, refactored property panel generation

* MMP: refactoring for readability

* MMPA: fixes for malformed data

* Chem: MMPa: memory leaks fixes

---------

Co-authored-by: Maria Dolotova <maria.dolotova@softwarecountry.com>
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@StLeonidas StLeonidas

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@StLeonidas @dnillovna @ahadzhanian