From 4618f79b66107d9f854869461b9432b62b4bc409 Mon Sep 17 00:00:00 2001 From: Luc Dessieux Date: Fri, 6 Feb 2026 13:15:36 -0500 Subject: [PATCH 1/3] Add files via upload --- src/vnext/vnext_backend.py | 74 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 74 insertions(+) create mode 100644 src/vnext/vnext_backend.py diff --git a/src/vnext/vnext_backend.py b/src/vnext/vnext_backend.py new file mode 100644 index 0000000..4434617 --- /dev/null +++ b/src/vnext/vnext_backend.py @@ -0,0 +1,74 @@ + + +def vnextview(runs=1,rune=None,chopruns=None,runv=None,norm=None,pc=None,minv=None,maxv=None): + """ View one GSAS gda data pattern after binning as histogram data: + Parameters + - runs (int): Start run number + - rune (int | None): End run number + - chopruns (int | None): Chopruns where data are chopped from + - runv (int | None): Vanadium data for normalization + - norm (int| None): Normalize data over proton charge charge read from xml + - pc (int | None): Normalize with proton charge + - minv (float | None): Cutoff of x axis + - maxv (float | None):Cutoff of x axis.""" + raise NotImplementedError("Implement view") + +def vnextbin(runs=1,rune=None,chopruns=None): + """ Bin event data to GSAS histogram files if not binned before: + Parameters + - runs (int): Start run number + - rune (int | None): End run number + - chopruns (int | None): Chopruns where data are chopped from""" + raise NotImplementedError("Implement vbin") +def vnextchop(runs=1,dbin=1,minv=None,maxv=None): + """Chop wall clock time , synchronize, and bin continuously collected data in seconds + Parameters + - runs (int): Start run number + - minv (float | None): minimum value + - maxv (float | None):maximum value + - dbin(float| None): time bin""" + raise NotImplementedError("Implement chop") +def vnextchopse(runs=1,se='Temperature',dse=1,minv=None,maxv=None): + """Chop sample environment , synchronize, and bin continuously collected data in seconds + Parameters + - runs (int): Start run number + -se(str): name of sample environment to be chopped + - minv (float | None): minimum value + - maxv (float | None):maximum value + - dse(float| None): sample envirnment bin""" + raise NotImplementedError("Implement chopse") + +def vnextspf(runs=1,rune=None,chopruns=None,runv=None,runr=None,pc=None,norm=None,updated=None,autofix=None,npeaks=None): + """ Conduct GSAS single peak fit: + Parameters + - runs (int): Start run number + - rune (int | None): End run number + - chopruns (int | None): Chopruns where data are chopped from + - runv (int | None): Vanadium data for normalization + - norm (int| None): Normalize data over proton charge charge read from xml + - pc (int | None): Normalize with proton charge + - runr(int | None): reference run number to calculate strain, default is the first run + - updatedp(int /None): update peak positions + - autofix (int| None): + - autopeak (int | None):automatically find peak wi + - npeaks (float | None):number of peaks to automatically generate. + """ + raise NotImplementedError("Implement single peak fit") +def vnextgsas(runs=1,rune=None,choprun=None,runm=None): + """ Conduct GSAS Rietveld refinement: + Parameters + - runs (int): Start run number + - rune (int | None): End run number + - chopruns (int | None): Chopruns where data are chopped from + - runm (int | None): Template run default is first one""" + + raise NotImplementedError("Implement gsas") + + + + + + + + + From 592e3fbb2f450fb0de842f7902fc05f28c916315 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Fri, 6 Feb 2026 18:16:45 +0000 Subject: [PATCH 2/3] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- src/vnext/vnext_backend.py | 45 +++++++++++++++++++------------------- 1 file changed, 22 insertions(+), 23 deletions(-) diff --git a/src/vnext/vnext_backend.py b/src/vnext/vnext_backend.py index 4434617..9f05e62 100644 --- a/src/vnext/vnext_backend.py +++ b/src/vnext/vnext_backend.py @@ -1,7 +1,5 @@ - - -def vnextview(runs=1,rune=None,chopruns=None,runv=None,norm=None,pc=None,minv=None,maxv=None): - """ View one GSAS gda data pattern after binning as histogram data: +def vnextview(runs=1, rune=None, chopruns=None, runv=None, norm=None, pc=None, minv=None, maxv=None): + """View one GSAS gda data pattern after binning as histogram data: Parameters - runs (int): Start run number - rune (int | None): End run number @@ -12,15 +10,18 @@ def vnextview(runs=1,rune=None,chopruns=None,runv=None,norm=None,pc=None,minv=No - minv (float | None): Cutoff of x axis - maxv (float | None):Cutoff of x axis.""" raise NotImplementedError("Implement view") - -def vnextbin(runs=1,rune=None,chopruns=None): - """ Bin event data to GSAS histogram files if not binned before: + + +def vnextbin(runs=1, rune=None, chopruns=None): + """Bin event data to GSAS histogram files if not binned before: Parameters - runs (int): Start run number - rune (int | None): End run number - chopruns (int | None): Chopruns where data are chopped from""" raise NotImplementedError("Implement vbin") -def vnextchop(runs=1,dbin=1,minv=None,maxv=None): + + +def vnextchop(runs=1, dbin=1, minv=None, maxv=None): """Chop wall clock time , synchronize, and bin continuously collected data in seconds Parameters - runs (int): Start run number @@ -28,7 +29,9 @@ def vnextchop(runs=1,dbin=1,minv=None,maxv=None): - maxv (float | None):maximum value - dbin(float| None): time bin""" raise NotImplementedError("Implement chop") -def vnextchopse(runs=1,se='Temperature',dse=1,minv=None,maxv=None): + + +def vnextchopse(runs=1, se="Temperature", dse=1, minv=None, maxv=None): """Chop sample environment , synchronize, and bin continuously collected data in seconds Parameters - runs (int): Start run number @@ -38,8 +41,11 @@ def vnextchopse(runs=1,se='Temperature',dse=1,minv=None,maxv=None): - dse(float| None): sample envirnment bin""" raise NotImplementedError("Implement chopse") -def vnextspf(runs=1,rune=None,chopruns=None,runv=None,runr=None,pc=None,norm=None,updated=None,autofix=None,npeaks=None): - """ Conduct GSAS single peak fit: + +def vnextspf( + runs=1, rune=None, chopruns=None, runv=None, runr=None, pc=None, norm=None, updated=None, autofix=None, npeaks=None +): + """Conduct GSAS single peak fit: Parameters - runs (int): Start run number - rune (int | None): End run number @@ -54,21 +60,14 @@ def vnextspf(runs=1,rune=None,chopruns=None,runv=None,runr=None,pc=None,norm=Non - npeaks (float | None):number of peaks to automatically generate. """ raise NotImplementedError("Implement single peak fit") -def vnextgsas(runs=1,rune=None,choprun=None,runm=None): - """ Conduct GSAS Rietveld refinement: + + +def vnextgsas(runs=1, rune=None, choprun=None, runm=None): + """Conduct GSAS Rietveld refinement: Parameters - runs (int): Start run number - rune (int | None): End run number - chopruns (int | None): Chopruns where data are chopped from - runm (int | None): Template run default is first one""" - - raise NotImplementedError("Implement gsas") - - - - - - - - + raise NotImplementedError("Implement gsas") From 2807d639afc34cc70375d9554a9aa18b47cd8690 Mon Sep 17 00:00:00 2001 From: Luc Dessieux Date: Mon, 9 Feb 2026 09:38:45 -0500 Subject: [PATCH 3/3] Fix typo in parameter documentation for chopse --- src/vnext/vnext_backend.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/vnext/vnext_backend.py b/src/vnext/vnext_backend.py index 9f05e62..44c961d 100644 --- a/src/vnext/vnext_backend.py +++ b/src/vnext/vnext_backend.py @@ -38,7 +38,7 @@ def vnextchopse(runs=1, se="Temperature", dse=1, minv=None, maxv=None): -se(str): name of sample environment to be chopped - minv (float | None): minimum value - maxv (float | None):maximum value - - dse(float| None): sample envirnment bin""" + - dse(float| None): sample environment bin""" raise NotImplementedError("Implement chopse")