Surface Description of Labelled Graphs

1989 ◽  
Author(s):  
C. J. Davies
2020 ◽  
Vol 12 (1) ◽  
Author(s):  
Jördis-Ann Schüler ◽  
Steffen Rechner ◽  
Matthias Müller-Hannemann

AbstractAn important task in cheminformatics is to test whether two molecules are equivalent with respect to their 2D structure. Mathematically, this amounts to solving the graph isomorphism problem for labelled graphs. In this paper, we present an approach which exploits chemical properties and the local neighbourhood of atoms to define highly distinctive node labels. These characteristic labels are the key for clever partitioning molecules into molecule equivalence classes and an effective equivalence test. Based on extensive computational experiments, we show that our algorithm is significantly faster than existing implementations within , and . We provide our Java implementation as an easy-to-use, open-source package (via GitHub) which is compatible with . It fully supports the distinction of different isotopes and molecules with radicals.


1987 ◽  
Author(s):  
T. J. Fan ◽  
G. Medioni ◽  
R. Nevatia
Keyword(s):  

2017 ◽  
Vol 61 ◽  
pp. 819-825 ◽  
Author(s):  
Joshua Lockhart ◽  
Otfried Gühne ◽  
Simone Severini

1993 ◽  
Vol 9 (02) ◽  
pp. 88-106
Author(s):  
Richard A. Jinkerson ◽  
Stephen L. Abrams ◽  
Leonidas Bardis ◽  
Chryssostomos Chryssostomidis ◽  
Andre Cldment ◽  
...  

Localization is the process of determining the rigid-body translations and rotations that must be performed on the set of points measured on a manufactured surface to move those points into closest correspondence with the ideal design surface. In unconstrained localization all points have equal effect on the determination of the rigid-body transformation, while constrained localization allows a subset of the points to have stronger influence on the transformation. The measured points are physical points in space obtained by direct measurement of a manufactured marine propeller blade. The ideal design surface is the surface description of the propeller blade provided by the blade designer. Given that the measured blade is manufactured from the design surface description, the localization determines a Euclidean motion that brings the measured points of the manufactured surface as close as possible to the design surface. An additional option is to determine an offset distance, such that the Euclidean motion brings the measured points as close as possible to the offset of the design surface. For this optimization problem the offset distance is a seventh parameter that must be determined in addition to the six parameters of the Euclidean motion. After localization, the offset of the design surface that was determined can be used to extract the gross geometric features of the manufactured blade. These features have important hydrodynamic functions and include the camber surface, section thickness function, pitch, rake, skew, chord length, maximum thickness, maximum camber, and the leading-edge curve. The approximation of the camber surface, which is the basis of most of the remaining features, is an intricate problem relying on an extension of the concept of a Brooks ribbon. It requires the solution of a system of nonlinear differential equations and a complicated error evaluation scheme.


Author(s):  
Giovanni Bellettini ◽  
Valentina Beorchia ◽  
Maurizio Paolini ◽  
Franco Pasquarelli

Author(s):  
Alex Oliver

The name ‘logical atomism’ refers to a network of theses about the parts and structure of the world and the means by which language represents the world. Wittgenstein, in his Tractatus Logico-Philosophicus, expounds a version of logical atomism developed by him around the time of the First World War, as does Russell in works published contemporaneously. It is no accident that their work on logical atomism shares a common surface description since it resulted from their mutual influence at Cambridge. The common theme is that the meaning of our sentences is rooted in a primitive relation between simple expressions and their simple worldly bearers, the logical atoms. In a logically perfect language, atomic sentences describe configurations of these atoms, and complex sentences are combinations of the atomic sentences. But sentences of ordinary language may have a misleading surface form which is revealed as such by analysis. The common theme masks considerable differences of doctrine. In particular, there are differences in the nature of logical atoms and in the arguments for the existence of these atoms.


1995 ◽  
Vol 14 (4) ◽  
pp. 363-411 ◽  
Author(s):  
Leila De Floriani ◽  
Enrico Puppo
Keyword(s):  

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