pypsbuilder 2.6.3__tar.gz → 2.6.4__tar.gz

pypsbuilder-2.6.4/.zenodo.json

@@ -0,0 +1,20 @@
+{
+    "creators": [
+        {
+            "name": "Lexa, Ondrej",
+            "orcid": "0000-0002-1825-0097",
+            "affiliation": "IPSG, Charles University, Prague, Czech Republic",
+            "type": "ProjectLeader"
+        }
+    ],
+    "title": "pypsbuilder - THERMOCALC front-end for constructing and visualizations of P-T, T-X and P-X pseudosections",
+    "access_right": "open",
+    "keywords": [
+        "metamorphic petrology",
+        "python",
+        "pseudosections"
+    ],
+    "license": "mit",
+    "upload_type": "software",
+    "language": "eng"
+}

{pypsbuilder-2.6.3 → pypsbuilder-2.6.4}/CHANGELOG.md

@@ -1,9 +1,15 @@
 # Changelog
 All notable pypsbuilder changes.
 
+## [2.6.4] - 2025-08-03
+### Fixed
+ - TC 3.51 compatibility added
+### Added
+ - `sys` could be used as phase to access G H S V rho variables
+
 ## [2.6.3] - 2025-04-03
 ### Fixed
- - fxed multipolygon bug when subsections are merged
+ - fixed multipolygon bug when subsections are merged
 
 ## [2.6.2] - 2025-02-11
 ### Fixed

{pypsbuilder-2.6.3 → pypsbuilder-2.6.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pypsbuilder
-Version: 2.6.3
+Version: 2.6.4
 Summary: THERMOCALC front-end for constructing and analyzing PT pseudosections
 Project-URL: Homepage, https://github.com/ondrolexa/pypsbuilder
 Project-URL: Documentation, https://pypsbuilder.readthedocs.io

{pypsbuilder-2.6.3 → pypsbuilder-2.6.4}/codecov.yml

@@ -1,5 +1,5 @@
 codecov:
-  require_ci_to_pass: yes
+  require_ci_to_pass: true
 
 coverage:
   precision: 2

{pypsbuilder-2.6.3 → pypsbuilder-2.6.4}/docs/api/pypsbuilder.tcapi.TC34API.rst

@@ -5,14 +5,14 @@
 
 .. autoclass:: TC34API
 
-   
+
    .. automethod:: __init__
 
-   
+
    .. rubric:: Methods
 
    .. autosummary::
-   
+
       ~TC34API.__init__
       ~TC34API.calc_assemblage
       ~TC34API.calc_p
@@ -31,15 +31,15 @@
       ~TC34API.rundr
       ~TC34API.runtc
       ~TC34API.update_scriptfile
-   
-   
 
-   
-   
+
+
+
+
    .. rubric:: Attributes
 
    .. autosummary::
-   
+
       ~TC34API.axfile
       ~TC34API.csvfile
       ~TC34API.dataset
@@ -52,7 +52,5 @@
       ~TC34API.ofile
       ~TC34API.prefsfile
       ~TC34API.scriptfile
-      ~TC34API.tcnewversion
+      ~TC34API.tcversionfloat
       ~TC34API.tcversion
-   
-   

{pypsbuilder-2.6.3 → pypsbuilder-2.6.4}/docs/api/pypsbuilder.tcapi.TC35API.rst

@@ -5,14 +5,14 @@
 
 .. autoclass:: TC35API
 
-   
+
    .. automethod:: __init__
 
-   
+
    .. rubric:: Methods
 
    .. autosummary::
-   
+
       ~TC35API.__init__
       ~TC35API.calc_assemblage
       ~TC35API.calc_p
@@ -30,15 +30,15 @@
       ~TC35API.rundr
       ~TC35API.runtc
       ~TC35API.update_scriptfile
-   
-   
 
-   
-   
+
+
+
+
    .. rubric:: Attributes
 
    .. autosummary::
-   
+
       ~TC35API.axfile
       ~TC35API.csvfile
       ~TC35API.dataset
@@ -51,7 +51,5 @@
       ~TC35API.ofile
       ~TC35API.prefsfile
       ~TC35API.scriptfile
-      ~TC35API.tcnewversion
+      ~TC35API.tcversionfloat
       ~TC35API.tcversion
-   
-   

{pypsbuilder-2.6.3 → pypsbuilder-2.6.4}/pypsbuilder/__init__.py

@@ -22,7 +22,7 @@ __all__ = (
     "get_tcapi",
 )
 
-__version__ = "2.6.3"
+__version__ = "2.6.4"
 __author__ = "Ondrej Lexa"
 __copyright__ = "© Ondrej Lexa 2016-2025"
 __email__ = "lexa.ondrej@gmail.com"

{pypsbuilder-2.6.3 → pypsbuilder-2.6.4}/pypsbuilder/psclasses.py

@@ -451,7 +451,7 @@ class TCResult:
             )
         # bulk composition
         bulk_vals = {}
-        oxhead, vals = bulk.split("\n")[1:]  # skip oxide compositions row
+        oxhead, vals = bulk.split("\n")[1:3]  # skip oxide compositions row
         for ox, val in zip(oxhead.split(), vals.split()[1:]):
             bulk_vals[ox] = float(val)
         data["bulk"] = bulk_vals
@@ -525,6 +525,109 @@ class TCResult:
         # Finally
         return cls(T, p, variance=variance, c=c, data=data, ptguess=ptguess)
 
+    @classmethod
+    def from_block351(cls, block, ptguess):
+        info, ax, sf, rbi, mode, factor, td, *mems, pems = block.split("\n\n")
+        bulk = "\n".join(rbi.split("\n")[:3])
+        rbi = "\n".join(rbi.split("\n")[3:])
+        # heading
+        data = {phase: {} for phase in info.split("{")[0].split()}
+        p, T = (float(v.strip()) for v in info.split("{")[1].split("}")[0].split(","))
+        # var or ovar?
+        variance = int(info.split("var = ")[1].split(" ")[0].replace(";", ""))
+        # a-x variables
+        for head, vals in zip(ax.split("\n")[::2], ax.split("\n")[1::2]):
+            phase, *names = head.split()
+            data[phase].update(
+                {
+                    name.replace("({})".format(phase), ""): float(val)
+                    for name, val in zip(names, vals.split())
+                }
+            )
+        # site fractions
+        for head, vals in zip(
+            sf.split("\n")[1::2], sf.split("\n")[2::2]
+        ):  # skip site fractions row
+            phase, *names = head.split()
+            data[phase].update(
+                {name: float(val) for name, val in zip(names, vals.split())}
+            )
+        # bulk composition
+        bulk_vals = {}
+        oxhead, vals = bulk.split("\n")[1:3]  # skip oxide compositions row
+        for ox, val in zip(oxhead.split(), vals.split()[1:]):
+            bulk_vals[ox] = float(val)
+        data["bulk"] = bulk_vals
+        # x for TX and pX
+        if "step" in vals:
+            c = float(vals.split("step")[1].split(", x =")[1])
+        else:
+            c = 0
+        # rbi
+        for row in rbi.split("\n"):
+            phase, *vals = row.split()
+            data[phase].update(
+                {ox: float(val) for ox, val in zip(oxhead.split(), vals)}
+            )
+        # modes (zero mode is empty field in tc350 !!!)
+        head, vals = mode.split("\n")
+        phases = head.split()[1:]
+        # fixed width parsing !!!
+        valsf = [
+            (
+                float(vals[6:][9 * i : 9 * (i + 1)].strip())
+                if vals[6:][9 * i : 9 * (i + 1)].strip() != ""
+                else 0.0
+            )
+            for i in range(len(phases))
+        ]
+        for phase, val in zip(phases, valsf):
+            data[phase].update({"mode": float(val)})
+        # factors
+        head, vals = factor.split("\n")
+        phases = head.split()[1:]
+        valsf = [
+            (
+                float(vals[6:][9 * i : 9 * (i + 1)].strip())
+                if vals[6:][9 * i : 9 * (i + 1)].strip() != ""
+                else 0.0
+            )
+            for i in range(len(phases))
+        ]
+        for phase, val in zip(phases, valsf):
+            data[phase].update({"factor": float(val)})
+        # thermodynamic state
+        head, *rows = td.split("\n")
+        for row in rows[:-1]:
+            phase, *vals = row.split()
+            data[phase].update(
+                {name: float(val) for name, val in zip(head.split(), vals)}
+            )
+        # bulk thermodynamics
+        sys = {}
+        for name, val in zip(head.split(), rows[-1].split()[1:]):
+            sys[name] = float(val)
+        data["sys"] = sys
+        # model end-members
+        if len(mems) > 0:
+            _, mem0 = mems[0].split("\n", maxsplit=1)
+            head = ["ideal", "gamma", "activity", "prop", "mu", "RTlna"]
+            mems[0] = mem0
+            for mem in mems:
+                ems = mem.split("\n")
+                phase, ems0 = ems[0].split(maxsplit=1)
+                ems[0] = ems0
+                for row in ems:
+                    em, *vals = row.split()
+                    phase_em = "{}({})".format(phase, em)
+                    data[phase_em] = {name: float(val) for name, val in zip(head, vals)}
+        # pure end-members
+        for row in pems.split("\n")[:-1]:
+            pem, val = row.split()
+            data[pem].update({"mu": float(val)})
+        # Finally
+        return cls(T, p, variance=variance, c=c, data=data, ptguess=ptguess)
+
     def __repr__(self):
         return "p:{:g} T:{:g} V:{} c:{:g}, Phases: {}".format(
             self.p, self.T, self.variance, self.c, " ".join(self.phases)
@@ -815,20 +918,20 @@ class SectionBase:
         def splitme(edges):
             """Recursive boundary splitter"""
             for idx, edge in enumerate(edges):
-                for _, l in lns:
-                    if edge.intersects(l):
-                        m = linemerge([edge, l])
+                for _, ln in lns:
+                    if edge.intersects(ln):
+                        m = linemerge([edge, ln])
                         if m.geom_type == "MultiLineString":
-                            p = edge.intersection(l)
+                            p = edge.intersection(ln)
                             if (
                                 p.geom_type == "LineString"
                             ):  # seems to occur whe duplicate points are on line
                                 p = MultiPoint(p.coords)
                             if p.geom_type == "MultiPoint":
-                                pts = [l.interpolate(l.project(pt)) for pt in p.geoms]
+                                pts = [ln.interpolate(ln.project(pt)) for pt in p.geoms]
                                 pts = sorted(pts, key=lambda pt: edge.project(pt))
                             else:
-                                pts = [l.interpolate(l.project(p))]
+                                pts = [ln.interpolate(ln.project(p))]
                             edges.pop(idx)
                             pts = (
                                 [Point(edge.coords[0])] + pts + [Point(edge.coords[-1])]
@@ -858,7 +961,7 @@ class SectionBase:
         while do:
             edges, do = splitme(edges)
         # polygonize
-        polys = list(polygonize(edges + [l for _, l in lns]))
+        polys = list(polygonize(edges + [ln for _, ln in lns]))
         # create shapes
         shapes = {}
         unilists = {}

{pypsbuilder-2.6.3 → pypsbuilder-2.6.4}/pypsbuilder/psexplorer.py

@@ -245,7 +245,7 @@ class PS:
         for comp in (
             set(self.all_data_keys.keys())
             .difference(self.phases)
-            .difference(set(["bulk", "sys"]))
+            .difference({'sys'})
         ):
             k, v = comp.split(")")[0].split("(")
             if k in em:
@@ -434,6 +434,7 @@ class PS:
         #             if len(res) > 0:
         #                 for k in res[0]['data'].keys():
         #                     data[k] = list(res[0]['data'][k].keys())
+        data['sys'] = ['G', 'H', 'S', 'V', 'rho']
         self.all_data_keys = data
 
     def collect_inv_data(self, key, phase, expr):
@@ -612,7 +613,7 @@ class PS:
         mn, mx = sys.float_info.max, -sys.float_info.max
         recs = OrderedDict()
         for key in self:
-            if phase.split("(")[0] in key:
+            if phase.split("(")[0] in key or phase == "sys":
                 d = self.collect_data(key, phase, expr, which=which)
                 z = d["data"]
                 if z:
@@ -1335,6 +1336,7 @@ class PS:
                 Default False.
             labelkeys (frozenset or list): Keys of divariant fields where contours
                 should be labeled.
+            clabelfs (int): Contour labels font size. Default 9
             nosplit (bool): Controls whether the contour underlying labels are
                 removed or not. Defaut True
             gradient (bool): Whether the first derivate of values should be used.
@@ -1435,7 +1437,7 @@ class PS:
                 ax = fig.add_subplot()
             for key in recs:
                 phase_parts = phase.split(")")[0].split("(")
-                if phase_parts[0] in key:
+                if phase_parts[0] in key or phase == "sys":
                     tmin, pmin, tmax, pmax = self.shapes[key].bounds
                     # ttspace = self.xspace[np.logical_and(self.xspace >= tmin - self.xstep, self.xspace <= tmax + self.xstep)]
                     # ppspace = self.yspace[np.logical_and(self.yspace >= pmin - self.ystep, self.yspace <= pmax + self.ystep)]
@@ -1613,7 +1615,7 @@ class PS:
                                     positions.append(seg.vertices[inside].mean(axis=0))
                             ax.clabel(
                                 contlbl,
-                                fontsize=9,
+                                fontsize=kwargs.get("clabelfs", 9),
                                 manual=positions,
                                 fmt="%g",
                                 inline_spacing=3,