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Searched defs:patom (Results 1 – 25 of 57) sorted by relevance

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/dports/science/cdk/cdk-cdk-2.3/tool/pcore/src/test/java/org/openscience/cdk/pharmacophore/
H A DPharmacophoreAtomTest.java33 PharmacophoreAtom patom = new PharmacophoreAtom("[CX2]N", "Amine", new Point3d(0, 0, 0)); in testGetterSetter() local
42 PharmacophoreAtom patom = new PharmacophoreAtom("[CX2]N", "Amine", new Point3d(0, 0, 0)); in testMatchingAtoms() local
/dports/science/openbabel/openbabel-3.1.1/src/formats/json/
H A Dpubchemjsonformat.cpp186 OBAtom *patom = pmol->NewAtom(eAids[i].GetUint()); in ReadMolecule() local
195 OBAtom *patom = pmol->NewAtom(eAids[i].GetUint()); in ReadMolecule() local
214 OBAtom *patom = pmol->GetAtomById(charge["aid"].GetUint()); in ReadMolecule() local
233 OBAtom *patom = pmol->GetAtomById(radical["aid"].GetUint()); in ReadMolecule() local
245 OBAtom *patom = pmol->GetAtomById(radical["aid"].GetUint()); in ReadMolecule() local
284 OBAtom *patom = pmol->GetAtomById(isotope["aid"].GetUint()); in ReadMolecule() local
399 OBAtom *patom = pmol->GetAtomById(cAids[i].GetUint()); in ReadMolecule() local
H A Dchemdoodlejsonformat.cpp150 OBAtom *patom = pmol->NewAtom(); in ReadMolecule() local
/dports/science/openbabel/openbabel-3.1.1/src/fingerprints/
H A Dfinger2.cpp112 OBAtom *patom; in GetFingerprint() local
147 int level, OBAtom* patom, OBBond* pbond) in getFragments()
/dports/science/cdk/cdk-cdk-2.3/tool/pcore/src/main/java/org/openscience/cdk/pharmacophore/
H A DPharmacophoreQueryAtom.java117 PharmacophoreAtom patom = PharmacophoreAtom.get(atom); in matches() local
H A DPharmacophoreMatcher.java218 PharmacophoreAtom patom = PharmacophoreAtom.get(iAtom); in matches() local
488 PharmacophoreAtom patom = new PharmacophoreAtom(smarts, qatom.getSymbol(), coords); in newPCoreAtom() local
/dports/biology/ugene/ugene-40.1/src/plugins_3rdparty/ptools/src/
H A DPToolsAligner.cpp66 PTools::Atom patom(pproperty, pcoord); in createRigidBody() local
/dports/science/openbabel/openbabel-3.1.1/src/formats/xml/
H A Dcdxmlformat.cpp310 OBAtom *patom; in CalculateMoleculeBoundary() local
412 OBAtom *patom; in WriteMolecule() local
/dports/net/tightvnc/vnc_unixsrc/Xvnc/programs/Xserver/dix/
H A Datom.c176 FreeAtom(patom) in FreeAtom() argument
/dports/net/tigervnc-server/tigervnc-1.12.0/unix/xserver/dix/
H A Datom.c168 FreeAtom(NodePtr patom) in FreeAtom()
/dports/x11-servers/xephyr/xorg-server-1.20.13/dix/
H A Datom.c168 FreeAtom(NodePtr patom) in FreeAtom()
/dports/x11-servers/xorg-vfbserver/xorg-server-1.20.13/dix/
H A Datom.c168 FreeAtom(NodePtr patom) in FreeAtom()
/dports/x11-servers/xwayland-devel/xorg-xserver-xorg-server-21.0.99.1-177-g9e5a37961/dix/
H A Datom.c168 FreeAtom(NodePtr patom) in FreeAtom()
/dports/x11-servers/xwayland/xorg-server-1.20.13/dix/
H A Datom.c168 FreeAtom(NodePtr patom) in FreeAtom()
/dports/x11-servers/xorg-dmx/xorg-server-1.20.13/dix/
H A Datom.c168 FreeAtom(NodePtr patom) in FreeAtom()
/dports/x11-servers/xorg-nestserver/xorg-server-1.20.13/dix/
H A Datom.c168 FreeAtom(NodePtr patom) in FreeAtom()
/dports/x11-servers/xarcan/xarcan-0.6.0/dix/
H A Datom.c168 FreeAtom(NodePtr patom) in FreeAtom()
/dports/x11-servers/xorg-server/xorg-server-1.20.13/dix/
H A Datom.c168 FreeAtom(NodePtr patom) in FreeAtom()
/dports/x11-wm/chamfer/chamferwm-d0916ee/src/
H A Dbackend.cpp869 xcb_atom_t *patom = (xcb_atom_t*)xcb_get_property_value(propertyReplyWindowType); in HandleEvent() local
878 xcb_atom_t *patom = (xcb_atom_t*)xcb_get_property_value(propertyReplyWindowState); in HandleEvent() local
991 xcb_atom_t *patom = (xcb_atom_t*)xcb_get_property_value(propertyReplyWindowType); in HandleEvent() local
999 xcb_atom_t *patom = (xcb_atom_t*)xcb_get_property_value(propertyReplyWindowState); in HandleEvent() local
1050 xcb_atom_t *patom = (xcb_atom_t*)xcb_get_property_value(propertyReplyWindowType); in HandleEvent() local
1070 xcb_atom_t *patom = (xcb_atom_t*)xcb_get_property_value(propertyReplyWindowState); in HandleEvent() local
/dports/x11-fonts/xfs/xfs-1.2.0/difs/
H A Datom.c170 free_atom(NodePtr patom) in free_atom()
/dports/graphics/azpainterb/azpainterb-1.1.3/mlib/src/x11/
H A Dx11_event_sub.c114 Atom *patom; in mX11Event_change_NET_WM_STATE() local
/dports/graphics/azpainter/azpainter-2.1.7/mlib/src/x11/
H A Dx11_event_sub.c114 Atom *patom; in mX11Event_change_NET_WM_STATE() local
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolStandardize/
H A DCharge.cpp128 Atom *patom = omol->getAtomWithIdx(poccur.back()); in reionize() local
183 Atom *patom = omol->getAtomWithIdx(poccur.back()); in reionize() local
/dports/science/openbabel/openbabel-3.1.1/src/formats/
H A Dinchiformat.cpp141 OBAtom* patom = pmol->GetAtom(i+1); //index starts at 1 in ReadMolecule() local
327 OBAtom* patom; in WriteMolecule() local
H A Dcofformat.cpp239 OBAtom* patom; in ReadMolecule() local

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