From 8444b37be9b6cf14e5f7957d4f2390790b41d976 Mon Sep 17 00:00:00 2001
From: zhouxiexuan <zhouxiexuan@qq.com>
Date: Wed, 20 Dec 2023 09:14:19 +0100
Subject: [PATCH] contrib->thermo

---
 alphaviz/thermo/xic_plot.py        |  2 +-
 nbs/tutorial_DIANN_alphabase.ipynb | 10 +++++++---
 2 files changed, 8 insertions(+), 4 deletions(-)

diff --git a/alphaviz/thermo/xic_plot.py b/alphaviz/thermo/xic_plot.py
index 44da1b6..bb56373 100644
--- a/alphaviz/thermo/xic_plot.py
+++ b/alphaviz/thermo/xic_plot.py
@@ -11,7 +11,7 @@
     TimsTOF, 
 )
 
-from alphaviz.contrib.msplot_utils import (
+from alphaviz.thermo.msplot_utils import (
     _plot_line, _plot_line_fast
 )
 
diff --git a/nbs/tutorial_DIANN_alphabase.ipynb b/nbs/tutorial_DIANN_alphabase.ipynb
index 966b9df..df1da8a 100644
--- a/nbs/tutorial_DIANN_alphabase.ipynb
+++ b/nbs/tutorial_DIANN_alphabase.ipynb
@@ -36,7 +36,7 @@
     }
    ],
    "source": [
-    "from alphaviz.contrib.ms_viz import MS_Viz\n",
+    "from alphaviz.thermo.ms_viz import MS_Viz\n",
     "\n",
     "from peptdeep.pretrained_models import ModelManager\n",
     "\n",
@@ -353623,7 +353623,9 @@
    "outputs": [
     {
      "data": {
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stroke: rgb(45, 114, 142); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,90)\"><g class=\"traces\" transform=\"translate(0,185.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; font-size: 12px; fill: rgb(42, 63, 95); fill-opacity: 1; white-space: pre;\">b7++ 430.203</text><g class=\"layers\" style=\"opacity: 1;\"><g class=\"legendfill\"/><g class=\"legendlines\"><path class=\"js-line\" d=\"M5,0h30\" style=\"fill: none; stroke: rgb(43, 119, 142); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,100)\"><g class=\"traces\" transform=\"translate(0,204.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; font-size: 12px; fill: rgb(42, 63, 95); fill-opacity: 1; white-space: pre;\">b8++ 478.729</text><g class=\"layers\" style=\"opacity: 1;\"><g class=\"legendfill\"/><g class=\"legendlines\"><path class=\"js-line\" d=\"M5,0h30\" style=\"fill: none; stroke: rgb(41, 123, 142); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,110)\"><g class=\"traces\" transform=\"translate(0,223.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; 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stroke: rgb(36, 137, 141); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,130)\"><g class=\"traces\" transform=\"translate(0,261.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; font-size: 12px; fill: rgb(42, 63, 95); fill-opacity: 1; white-space: pre;\">b12++ 678.335</text><g class=\"layers\" style=\"opacity: 1;\"><g class=\"legendfill\"/><g class=\"legendlines\"><path class=\"js-line\" d=\"M5,0h30\" style=\"fill: none; stroke: rgb(35, 142, 140); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,140)\"><g class=\"traces\" transform=\"translate(0,280.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; font-size: 12px; fill: rgb(42, 63, 95); fill-opacity: 1; white-space: pre;\">b13++ 742.364</text><g class=\"layers\" style=\"opacity: 1;\"><g class=\"legendfill\"/><g class=\"legendlines\"><path class=\"js-line\" d=\"M5,0h30\" style=\"fill: none; stroke: rgb(34, 146, 139); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,150)\"><g class=\"traces\" transform=\"translate(0,299.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; 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stroke: rgb(44, 173, 127); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,170)\"><g class=\"traces\" transform=\"translate(0,337.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; font-size: 12px; fill: rgb(42, 63, 95); fill-opacity: 1; white-space: pre;\">y7+ 799.442</text><g class=\"layers\" style=\"opacity: 1;\"><g class=\"legendfill\"/><g class=\"legendlines\"><path class=\"js-line\" d=\"M5,0h30\" style=\"fill: none; stroke: rgb(48, 177, 125); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,180)\"><g class=\"traces\" transform=\"translate(0,356.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; font-size: 12px; fill: rgb(42, 63, 95); fill-opacity: 1; white-space: pre;\">y6+ 702.389</text><g class=\"layers\" style=\"opacity: 1;\"><g class=\"legendfill\"/><g class=\"legendlines\"><path class=\"js-line\" d=\"M5,0h30\" style=\"fill: none; stroke: rgb(52, 182, 122); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,190)\"><g class=\"traces\" transform=\"translate(0,375.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; 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stroke: rgb(69, 190, 112); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); fill-opacity: 0;\"/></g></g><g class=\"groups\" transform=\"translate(0,210)\"><g class=\"traces\" transform=\"translate(0,413.5)\" style=\"opacity: 1;\"><text class=\"legendtext\" text-anchor=\"start\" x=\"40\" y=\"4.680000000000001\" style=\"font-family: 'Open Sans', verdana, arial, sans-serif; font-size: 12px; fill: rgb(42, 63, 95); fill-opacity: 1; white-space: pre;\">y3+ 431.236</text><g class=\"layers\" style=\"opacity: 1;\"><g class=\"legendfill\"/><g class=\"legendlines\"><path class=\"js-line\" d=\"M5,0h30\" style=\"fill: none; stroke: rgb(79, 193, 106); stroke-opacity: 1; stroke-width: 2px;\"/></g><g class=\"legendsymbols\"><g class=\"legendpoints\"/></g></g><rect class=\"legendtoggle\" x=\"0\" y=\"-9.5\" width=\"136.734375\" height=\"19\" style=\"fill: rgb(0, 0, 0); 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      },
      "metadata": {},
      "output_type": "display_data"
@@ -353649,7 +353651,9 @@
    "outputs": [
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